N-[(2S)-5-amino-1-[[4-(trifluoromethoxy)phenyl]methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide

C24H27F3N2O4S — CID 90890095

IUPACN-[(2S)-5-amino-1-[[4-(trifluoromethoxy)phenyl]methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CCCN)COCc2ccc(OC(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C24H27F3N2O4S/c1-17-8-13-23(22-7-3-2-6-21(17)22)34(30,31)29-19(5-4-14-28)16-32-15-18-9-11-20(12-10-18)33-24(25,26)27/h2-3,6-13,19,29H,4-5,14-16,28H2,1H3/t19-/m0/s1
InChIKeyGYWVGIVBFOGIKX-IBGZPJMESA-N
MW496.55 g/mol
LogP4.65
Rot. Bonds11

About N-[(2S)-5-amino-1-[[4-(trifluoromethoxy)phenyl]methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide

N-[(2S)-5-amino-1-[[4-(trifluoromethoxy)phenyl]methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide (PubChem CID 90890095) has the molecular formula C24H27F3N2O4S and a molecular weight of 496.55 g/mol. Its IUPAC name is N-[(2S)-5-amino-1-[[4-(trifluoromethoxy)phenyl]methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-amino-1-[[4-(trifluoromethoxy)phenyl]methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide
PubChem CID90890095
Molecular FormulaC24H27F3N2O4S
Molecular Weight496.55 g/mol
Exact Mass496.16
IUPAC NameN-[(2S)-5-amino-1-[[4-(trifluoromethoxy)phenyl]methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CCCN)COCc2ccc(OC(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C24H27F3N2O4S/c1-17-8-13-23(22-7-3-2-6-21(17)22)34(30,31)29-19(5-4-14-28)16-32-15-18-9-11-20(12-10-18)33-24(25,26)27/h2-3,6-13,19,29H,4-5,14-16,28H2,1H3/t19-/m0/s1
InChIKeyGYWVGIVBFOGIKX-IBGZPJMESA-N
XLogP4.65
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-trimethyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 100278072
2,4-dimethyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 155542329
N-(1-(4-isopropylphenoxy)propan-2-yl)naphthalene-2-sulfinamide
CID 2929294
(S)-3-(p-methoxyphenyl)-2-methyl-1-(1-naphthylsulfonylamino)-2-propanol
CID 96351673
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(6-methoxynaphthalen-2-yl)oxypropan-2-yl]benzenesulfonamide
CID 59203535
2,4,6-trimethyl-N-(1,1,1-trifluoro-3-naphthalen-1-yloxypropan-2-yl)benzenesulfonamide
CID 59203590
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-yl]benzenesulfonamide
CID 59203599
2,4,6-trimethyl-N-(1,1,1-trifluoro-3-naphthalen-2-yloxypropan-2-yl)benzenesulfonamide
CID 59203616
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-2-yl]benzenesulfonamide
CID 59203643
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(7-methoxynaphthalen-2-yl)oxypropan-2-yl]benzenesulfonamide
CID 59203665
N-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide
CID 91603985
1-[2-methoxy-6-(trifluoromethyl)naphthalen-1-yl]-N-propan-2-yl-6-(trifluoromethyl)naphthalene-2-sulfonamide
CID 140019579

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-amino-1-[[4-(trifluoromethoxy)phenyl]methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide?
The IUPAC name of N-[(2S)-5-amino-1-[[4-(trifluoromethoxy)phenyl]methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide (CID 90890095) is N-[(2S)-5-amino-1-[[4-(trifluoromethoxy)phenyl]methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-[(2S)-5-amino-1-[[4-(trifluoromethoxy)phenyl]methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide?
The canonical SMILES for N-[(2S)-5-amino-1-[[4-(trifluoromethoxy)phenyl]methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](CCCN)COCc2ccc(OC(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of N-[(2S)-5-amino-1-[[4-(trifluoromethoxy)phenyl]methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide?
The InChIKey is GYWVGIVBFOGIKX-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27F3N2O4S/c1-17-8-13-23(22-7-3-2-6-21(17)22)34(30,31)29-19(5-4-14-28)16-32-15-18-9-11-20(12-10-18)33-24(25,26)27/h2-3,6-13,19,29H,4-5,14-16,28H2,1H3/t19-/m0/s1.
What are the key properties of N-[(2S)-5-amino-1-[[4-(trifluoromethoxy)phenyl]methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide?
N-[(2S)-5-amino-1-[[4-(trifluoromethoxy)phenyl]methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide has a molecular weight of 496.55 g/mol, XLogP of 4.65, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-amino-1-[[4-(trifluoromethoxy)phenyl]methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide is sourced from PubChem (CID 90890095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).