(6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium

C22H27N2O2S+ — CID 8925268

IUPAC(6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
SMILESCOc1ccc2cc(C[NH+](C)[C@H](C)C(=O)NCCc3cccs3)ccc2c1
InChIInChI=1S/C22H26N2O2S/c1-16(22(25)23-11-10-21-5-4-12-27-21)24(2)15-17-6-7-19-14-20(26-3)9-8-18(19)13-17/h4-9,12-14,16H,10-11,15H2,1-3H3,(H,23,25)/p+1/t16-/m1/s1
InChIKeyPPDPVOYWLCJNAO-MRXNPFEDSA-O
MW383.54 g/mol
LogP2.67
Rot. Bonds8

About (6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium

(6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium (PubChem CID 8925268) has the molecular formula C22H27N2O2S+ and a molecular weight of 383.54 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
PubChem CID8925268
Molecular FormulaC22H27N2O2S+
Molecular Weight383.54 g/mol
Exact Mass383.18
IUPAC Name(6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
SMILESCOc1ccc2cc(C[NH+](C)[C@H](C)C(=O)NCCc3cccs3)ccc2c1
InChIInChI=1S/C22H26N2O2S/c1-16(22(25)23-11-10-21-5-4-12-27-21)24(2)15-17-6-7-19-14-20(26-3)9-8-18(19)13-17/h4-9,12-14,16H,10-11,15H2,1-3H3,(H,23,25)/p+1/t16-/m1/s1
InChIKeyPPDPVOYWLCJNAO-MRXNPFEDSA-O
XLogP2.67
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(6-methoxynaphthalen-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 27770310
(6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 8925295
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27081744
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054076
2-[(6-methoxynaphthalen-2-yl)methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111039079
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054254
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 24682495
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512951
N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110295233
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 8595557
2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27562284
(6-methoxynaphthalen-2-yl)methyl-[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9054234

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium?
The IUPAC name of (6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium (CID 8925268) is (6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium?
The canonical SMILES for (6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium is COc1ccc2cc(C[NH+](C)[C@H](C)C(=O)NCCc3cccs3)ccc2c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium?
The InChIKey is PPDPVOYWLCJNAO-MRXNPFEDSA-O. The full InChI is InChI=1S/C22H26N2O2S/c1-16(22(25)23-11-10-21-5-4-12-27-21)24(2)15-17-6-7-19-14-20(26-3)9-8-18(19)13-17/h4-9,12-14,16H,10-11,15H2,1-3H3,(H,23,25)/p+1/t16-/m1/s1.
What are the key properties of (6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium?
(6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium has a molecular weight of 383.54 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium is sourced from PubChem (CID 8925268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).