2-[benzenesulfonyl(benzyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide

C29H27ClN2O4S — CID 171152532

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C29H27ClN2O4S/c1-22(32(20-23-8-4-2-5-9-23)37(34,35)28-10-6-3-7-11-28)29(33)31-26-16-18-27(19-17-26)36-21-24-12-14-25(30)15-13-24/h2-19,22H,20-21H2,1H3,(H,31,33)
InChIKeyRIHLTGQLBZMWLI-UHFFFAOYSA-N
MW535.07 g/mol
LogP6.14
Rot. Bonds10

About 2-[benzenesulfonyl(benzyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide

2-[benzenesulfonyl(benzyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide (PubChem CID 171152532) has the molecular formula C29H27ClN2O4S and a molecular weight of 535.07 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
PubChem CID171152532
Molecular FormulaC29H27ClN2O4S
Molecular Weight535.07 g/mol
Exact Mass534.14
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C29H27ClN2O4S/c1-22(32(20-23-8-4-2-5-9-23)37(34,35)28-10-6-3-7-11-28)29(33)31-26-16-18-27(19-17-26)36-21-24-12-14-25(30)15-13-24/h2-19,22H,20-21H2,1H3,(H,31,33)
InChIKeyRIHLTGQLBZMWLI-UHFFFAOYSA-N
XLogP6.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.07
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
CID 22690589
(2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7185213
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 4241588
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide
CID 43820821
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
tert-butyl N-[4-[benzyl-[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]carbamate
CID 101074327
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6060424
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide
CID 46561691
(2S)-N-(4-phenylmethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide
CID 7045428

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide (CID 171152532) is 2-[benzenesulfonyl(benzyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide is CC(C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide?
The InChIKey is RIHLTGQLBZMWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN2O4S/c1-22(32(20-23-8-4-2-5-9-23)37(34,35)28-10-6-3-7-11-28)29(33)31-26-16-18-27(19-17-26)36-21-24-12-14-25(30)15-13-24/h2-19,22H,20-21H2,1H3,(H,31,33).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide?
2-[benzenesulfonyl(benzyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide has a molecular weight of 535.07 g/mol, XLogP of 6.14, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide is sourced from PubChem (CID 171152532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).