(4S)-N-tert-butyl-2,3,3-trimethyl-4-(4-methylnaphthalen-1-yl)oxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;(4S)-N-tert-butyl-2,3,3-trimethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine;2-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)propan-2-amine;(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine

C131H177N5O5S5 — CID 157243006

About (4S)-N-tert-butyl-2,3,3-trimethyl-4-(4-methylnaphthalen-1-yl)oxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;(4S)-N-tert-butyl-2,3,3-trimethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine;2-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)propan-2-amine;(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine

(4S)-N-tert-butyl-2,3,3-trimethyl-4-(4-methylnaphthalen-1-yl)oxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;(4S)-N-tert-butyl-2,3,3-trimethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine;2-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)propan-2-amine;(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine (PubChem CID 157243006) has the molecular formula C131H177N5O5S5 and a molecular weight of 2062.22 g/mol. Its IUPAC name is (4S)-N-tert-butyl-2,3,3-trimethyl-4-(4-methylnaphthalen-1-yl)oxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;(4S)-N-tert-butyl-2,3,3-trimethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine;2-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)propan-2-amine;(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine.

Molecular Properties

• Compound Name: (4S)-N-tert-butyl-2,3,3-trimethyl-4-(4-methylnaphthalen-1-yl)oxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;(4S)-N-tert-butyl-2,3,3-trimethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine;2-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)propan-2-amine;(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine
• PubChem CID: 157243006
• Molecular Formula: C131H177N5O5S5
• Molecular Weight: 2062.22 g/mol
• Exact Mass: 2060.24
• IUPAC Name: (4S)-N-tert-butyl-2,3,3-trimethyl-4-(4-methylnaphthalen-1-yl)oxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;(4S)-N-tert-butyl-2,3,3-trimethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine;2-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)propan-2-amine;(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine
• SMILES: CC(C)(C)NCCC(Oc1cccc2ccccc12)c1cccs1.CNC(C)(C)C(C)(C)[C@](C)(Oc1cccc2ccccc12)c1sc(C)c(C)c1C.CNCCC(Oc1c(C)c(C)c(C)c2c(C)c(C)c(C)c(C)c12)c1cccs1.Cc1sc([C@@](C)(Oc2ccc(C)c3ccccc23)C(C)(C)C(C)(C)NC(C)(C)C)c(C)c1C.Cc1sc([C@@](C)(Oc2cccc3ccccc23)C(C)(C)C(C)(C)NC(C)(C)C)c(C)c1C
• InChI: InChI=1S/C30H43NOS.C29H41NOS.C26H35NOS.C25H33NOS.C21H25NOS/c1-19-17-18-25(24-16-14-13-15-23(19)24)32-30(12,26-21(3)20(2)22(4)33-26)28(8,9)29(10,11)31-27(5,6)7;1-19-20(2)25(32-21(19)3)29(11,27(7,8)28(9,10)30-26(4,5)6)31-24-18-14-16-22-15-12-13-17-23(22)24;1-17-18(2)23(29-19(17)3)26(8,24(4,5)25(6,7)27-9)28-22-16-12-14-20-13-10-11-15-21(20)22;1-14-15(2)19(6)24-23(17(14)4)18(5)16(3)20(7)25(24)27-21(11-12-26-8)22-10-9-13-28-22;1-21(2,3)22-14-13-19(20-12-7-15-24-20)23-18-11-6-9-16-8-4-5-10-17(16)18/h13-18,31H,1-12H3;12-18,30H,1-11H3;10-16,27H,1-9H3;9-10,13,21,26H,11-12H2,1-8H3;4-12,15,19,22H,13-14H2,1-3H3/t30-;29-;26-;;/m111../s1
• InChIKey: AVKRNKGRPWIVAR-WWXOXZCDSA-N
• XLogP: 36.67
• TPSA: 106.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 30
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2062.22
LogP ≤ 5	36.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (4S)-N-tert-butyl-2,3,3-trimethyl-4-(4-methylnaphthalen-1-yl)oxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;(4S)-N-tert-butyl-2,3,3-trimethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine;2-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)propan-2-amine;(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine?

The IUPAC name of (4S)-N-tert-butyl-2,3,3-trimethyl-4-(4-methylnaphthalen-1-yl)oxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;(4S)-N-tert-butyl-2,3,3-trimethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine;2-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)propan-2-amine;(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine (CID 157243006) is (4S)-N-tert-butyl-2,3,3-trimethyl-4-(4-methylnaphthalen-1-yl)oxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;(4S)-N-tert-butyl-2,3,3-trimethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine;2-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)propan-2-amine;(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine.

What is the SMILES notation for (4S)-N-tert-butyl-2,3,3-trimethyl-4-(4-methylnaphthalen-1-yl)oxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;(4S)-N-tert-butyl-2,3,3-trimethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine;2-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)propan-2-amine;(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine?

The canonical SMILES for (4S)-N-tert-butyl-2,3,3-trimethyl-4-(4-methylnaphthalen-1-yl)oxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;(4S)-N-tert-butyl-2,3,3-trimethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine;2-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)propan-2-amine;(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine is CC(C)(C)NCCC(Oc1cccc2ccccc12)c1cccs1.CNC(C)(C)C(C)(C)[C@](C)(Oc1cccc2ccccc12)c1sc(C)c(C)c1C.CNCCC(Oc1c(C)c(C)c(C)c2c(C)c(C)c(C)c(C)c12)c1cccs1.Cc1sc([C@@](C)(Oc2ccc(C)c3ccccc23)C(C)(C)C(C)(C)NC(C)(C)C)c(C)c1C.Cc1sc([C@@](C)(Oc2cccc3ccccc23)C(C)(C)C(C)(C)NC(C)(C)C)c(C)c1C.

What is the InChIKey of (4S)-N-tert-butyl-2,3,3-trimethyl-4-(4-methylnaphthalen-1-yl)oxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;(4S)-N-tert-butyl-2,3,3-trimethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine;2-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)propan-2-amine;(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine?

The InChIKey is AVKRNKGRPWIVAR-WWXOXZCDSA-N. The full InChI is InChI=1S/C30H43NOS.C29H41NOS.C26H35NOS.C25H33NOS.C21H25NOS/c1-19-17-18-25(24-16-14-13-15-23(19)24)32-30(12,26-21(3)20(2)22(4)33-26)28(8,9)29(10,11)31-27(5,6)7;1-19-20(2)25(32-21(19)3)29(11,27(7,8)28(9,10)30-26(4,5)6)31-24-18-14-16-22-15-12-13-17-23(22)24;1-17-18(2)23(29-19(17)3)26(8,24(4,5)25(6,7)27-9)28-22-16-12-14-20-13-10-11-15-21(20)22;1-14-15(2)19(6)24-23(17(14)4)18(5)16(3)20(7)25(24)27-21(11-12-26-8)22-10-9-13-28-22;1-21(2,3)22-14-13-19(20-12-7-15-24-20)23-18-11-6-9-16-8-4-5-10-17(16)18/h13-18,31H,1-12H3;12-18,30H,1-11H3;10-16,27H,1-9H3;9-10,13,21,26H,11-12H2,1-8H3;4-12,15,19,22H,13-14H2,1-3H3/t30-;29-;26-;;/m111../s1.

What are the key properties of (4S)-N-tert-butyl-2,3,3-trimethyl-4-(4-methylnaphthalen-1-yl)oxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;(4S)-N-tert-butyl-2,3,3-trimethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine;2-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)propan-2-amine;(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine?

(4S)-N-tert-butyl-2,3,3-trimethyl-4-(4-methylnaphthalen-1-yl)oxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;(4S)-N-tert-butyl-2,3,3-trimethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine;2-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)propan-2-amine;(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine has a molecular weight of 2062.22 g/mol, XLogP of 36.67, 30 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-N-tert-butyl-2,3,3-trimethyl-4-(4-methylnaphthalen-1-yl)oxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;(4S)-N-tert-butyl-2,3,3-trimethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine;2-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)propan-2-amine;(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine is sourced from PubChem (CID 157243006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).