3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-N-[2-methyl-1-(propanoylamino)propan-2-yl]-3-phenylpropanamide

C27H33N3O5S — CID 142664535

IUPAC3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-N-[2-methyl-1-(propanoylamino)propan-2-yl]-3-phenylpropanamide
SMILESCCC(=O)NCC(C)(C)NC(=O)CC(NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccccc1
InChIInChI=1S/C27H33N3O5S/c1-5-25(31)28-18-27(2,3)29-26(32)17-24(19-9-7-6-8-10-19)30-36(33,34)23-14-12-20-15-22(35-4)13-11-21(20)16-23/h6-16,24,30H,5,17-18H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyNOWUEJGEWUCYQD-UHFFFAOYSA-N
MW511.64 g/mol
LogP3.68
Rot. Bonds11

About 3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-N-[2-methyl-1-(propanoylamino)propan-2-yl]-3-phenylpropanamide

3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-N-[2-methyl-1-(propanoylamino)propan-2-yl]-3-phenylpropanamide (PubChem CID 142664535) has the molecular formula C27H33N3O5S and a molecular weight of 511.64 g/mol. Its IUPAC name is 3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-N-[2-methyl-1-(propanoylamino)propan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-N-[2-methyl-1-(propanoylamino)propan-2-yl]-3-phenylpropanamide
PubChem CID142664535
Molecular FormulaC27H33N3O5S
Molecular Weight511.64 g/mol
Exact Mass511.21
IUPAC Name3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-N-[2-methyl-1-(propanoylamino)propan-2-yl]-3-phenylpropanamide
SMILESCCC(=O)NCC(C)(C)NC(=O)CC(NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccccc1
InChIInChI=1S/C27H33N3O5S/c1-5-25(31)28-18-27(2,3)29-26(32)17-24(19-9-7-6-8-10-19)30-36(33,34)23-14-12-20-15-22(35-4)13-11-21(20)16-23/h6-16,24,30H,5,17-18H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyNOWUEJGEWUCYQD-UHFFFAOYSA-N
XLogP3.68
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.64
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 3618581
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533
N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
CID 65031277
ethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
CID 3631613
ethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate
CID 55914953
N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133241816
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
CID 107863541
N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
CID 1259617
4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694
methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate
CID 139616851
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-N-[2-methyl-1-(propanoylamino)propan-2-yl]-3-phenylpropanamide?
The IUPAC name of 3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-N-[2-methyl-1-(propanoylamino)propan-2-yl]-3-phenylpropanamide (CID 142664535) is 3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-N-[2-methyl-1-(propanoylamino)propan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-N-[2-methyl-1-(propanoylamino)propan-2-yl]-3-phenylpropanamide?
The canonical SMILES for 3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-N-[2-methyl-1-(propanoylamino)propan-2-yl]-3-phenylpropanamide is CCC(=O)NCC(C)(C)NC(=O)CC(NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccccc1.
What is the InChIKey of 3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-N-[2-methyl-1-(propanoylamino)propan-2-yl]-3-phenylpropanamide?
The InChIKey is NOWUEJGEWUCYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O5S/c1-5-25(31)28-18-27(2,3)29-26(32)17-24(19-9-7-6-8-10-19)30-36(33,34)23-14-12-20-15-22(35-4)13-11-21(20)16-23/h6-16,24,30H,5,17-18H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of 3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-N-[2-methyl-1-(propanoylamino)propan-2-yl]-3-phenylpropanamide?
3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-N-[2-methyl-1-(propanoylamino)propan-2-yl]-3-phenylpropanamide has a molecular weight of 511.64 g/mol, XLogP of 3.68, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-N-[2-methyl-1-(propanoylamino)propan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 142664535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).