N-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide

C27H32N2O4S — CID 21060799

IUPACN-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide
SMILESCC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H32N2O4S/c1-21(2)19-29(34(32,33)24-16-10-5-11-17-24)20-26(30)25(18-22-12-6-3-7-13-22)28-27(31)23-14-8-4-9-15-23/h3-17,21,25-26,30H,18-20H2,1-2H3,(H,28,31)
InChIKeyAQDYFNWKAPRHFV-UHFFFAOYSA-N
MW480.63 g/mol
LogP3.74
Rot. Bonds11

About N-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide

N-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide (PubChem CID 21060799) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide
PubChem CID21060799
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC NameN-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide
SMILESCC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H32N2O4S/c1-21(2)19-29(34(32,33)24-16-10-5-11-17-24)20-26(30)25(18-22-12-6-3-7-13-22)28-27(31)23-14-8-4-9-15-23/h3-17,21,25-26,30H,18-20H2,1-2H3,(H,28,31)
InChIKeyAQDYFNWKAPRHFV-UHFFFAOYSA-N
XLogP3.74
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3,4-dihydroxybenzamide
CID 176513917
N-[(2S,3R)-3-hydroxy-4-[[4-(hydroxymethyl)phenyl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]acetamide
CID 58779290
[(2S,3R)-4-[(4-bromophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 67309517
3-hydroxy-N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-1-phenylbutan-2-yl]-4,5-dimethoxybenzamide
CID 172877440
N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxy-2-methylbenzamide
CID 5276489
N-[(2S,3S)-2-hydroxy-3-methyl-4-phenylbutyl]-N-(2-methylpropyl)benzenesulfonamide
CID 59054870
tert-butyl N-[[4-[[(3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]benzoyl]amino]-N-propylcarbamate
CID 178102356
tert-butyl N-[(2S)-3-hydroxy-4-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
CID 59412309
(2S)-2-acetamido-N-[(2S,3R)-3-hydroxy-4-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-methylbutanamide
CID 58359226
benzyl N-[3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
CID 23385577
4-amino-N-[(2R,3S)-2-hydroxy-3-(2-methylhydrazinyl)-4-phenylbutyl]-N-(2-methylpropyl)benzenesulfonamide
CID 172877336
benzyl N-[(3R)-4-[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 57210770

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide?
The IUPAC name of N-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide (CID 21060799) is N-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide?
The canonical SMILES for N-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide is CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide?
The InChIKey is AQDYFNWKAPRHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-21(2)19-29(34(32,33)24-16-10-5-11-17-24)20-26(30)25(18-22-12-6-3-7-13-22)28-27(31)23-14-8-4-9-15-23/h3-17,21,25-26,30H,18-20H2,1-2H3,(H,28,31).
What are the key properties of N-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide?
N-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide has a molecular weight of 480.63 g/mol, XLogP of 3.74, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 21060799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).