N-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide

C27H25N3O5S — CID 70055276

IUPACN-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide
SMILESNC(=O)[C@@H](O)C(Cc1ccccc1)NC(=O)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C27H25N3O5S/c28-26(32)25(31)24(15-18-7-2-1-3-8-18)29-27(33)21-11-6-12-22(16-21)30-36(34,35)23-14-13-19-9-4-5-10-20(19)17-23/h1-14,16-17,24-25,30-31H,15H2,(H2,28,32)(H,29,33)/t24?,25-/m0/s1
InChIKeyRBEDKOOFKYJSBC-BBMPLOMVSA-N
MW503.58 g/mol
LogP2.83
Rot. Bonds9

About N-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide

N-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide (PubChem CID 70055276) has the molecular formula C27H25N3O5S and a molecular weight of 503.58 g/mol. Its IUPAC name is N-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide
PubChem CID70055276
Molecular FormulaC27H25N3O5S
Molecular Weight503.58 g/mol
Exact Mass503.15
IUPAC NameN-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide
SMILESNC(=O)[C@@H](O)C(Cc1ccccc1)NC(=O)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C27H25N3O5S/c28-26(32)25(31)24(15-18-7-2-1-3-8-18)29-27(33)21-11-6-12-22(16-21)30-36(34,35)23-14-13-19-9-4-5-10-20(19)17-23/h1-14,16-17,24-25,30-31H,15H2,(H2,28,32)(H,29,33)/t24?,25-/m0/s1
InChIKeyRBEDKOOFKYJSBC-BBMPLOMVSA-N
XLogP2.83
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18084662
N-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18928951
3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840
3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide
CID 9412821
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid
CID 9234966
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067
(2S)-2-(naphthalen-2-ylsulfonylamino)-2-phenylacetamide
CID 51472155
methyl (2R)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-3-phenylpropanoate
CID 25342310
3-[(4-bromophenyl)sulfonylamino]-N-phenylmethoxybenzamide
CID 26372769
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 27648381

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide (CID 70055276) is N-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide is NC(=O)[C@@H](O)C(Cc1ccccc1)NC(=O)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide?
The InChIKey is RBEDKOOFKYJSBC-BBMPLOMVSA-N. The full InChI is InChI=1S/C27H25N3O5S/c28-26(32)25(31)24(15-18-7-2-1-3-8-18)29-27(33)21-11-6-12-22(16-21)30-36(34,35)23-14-13-19-9-4-5-10-20(19)17-23/h1-14,16-17,24-25,30-31H,15H2,(H2,28,32)(H,29,33)/t24?,25-/m0/s1.
What are the key properties of N-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide?
N-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide has a molecular weight of 503.58 g/mol, XLogP of 2.83, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 70055276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).