2-(benzenesulfonylcarbamoylamino)-3,3-diphenylpropanamide

C22H21N3O4S — CID 140737179

IUPAC2-(benzenesulfonylcarbamoylamino)-3,3-diphenylpropanamide
SMILESNC(=O)C(NC(=O)NS(=O)(=O)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21N3O4S/c23-21(26)20(24-22(27)25-30(28,29)18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-20H,(H2,23,26)(H2,24,25,27)
InChIKeyDHQKHPHRYWYTBM-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.36
Rot. Bonds7

About 2-(benzenesulfonylcarbamoylamino)-3,3-diphenylpropanamide

2-(benzenesulfonylcarbamoylamino)-3,3-diphenylpropanamide (PubChem CID 140737179) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-(benzenesulfonylcarbamoylamino)-3,3-diphenylpropanamide.

Molecular Properties

Compound Name2-(benzenesulfonylcarbamoylamino)-3,3-diphenylpropanamide
PubChem CID140737179
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name2-(benzenesulfonylcarbamoylamino)-3,3-diphenylpropanamide
SMILESNC(=O)C(NC(=O)NS(=O)(=O)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21N3O4S/c23-21(26)20(24-22(27)25-30(28,29)18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-20H,(H2,23,26)(H2,24,25,27)
InChIKeyDHQKHPHRYWYTBM-UHFFFAOYSA-N
XLogP2.36
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydryl-3-(4-methylphenyl)sulfonylurea
CID 1124078
1-benzhydryl-3-[3-(phenylcarbamoylamino)phenyl]sulfonylurea
CID 154259297
(2S)-2-[[(2S)-1-(benzenesulfonamido)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoic acid
CID 58845847
(2R)-2-(benzenesulfonamido)propanamide
CID 970705
(E)-N'-(benzenesulfonyl)but-2-enediamide
CID 22610827
N-(benzenesulfonyl)-2,2-dichloroacetamide
CID 3778605
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
benzenesulfonohydrazide;(E)-carbamoyliminourea
CID 18359618
ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate
CID 7375482
ethyl (2S,3R)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate
CID 7375481
(2S)-2-[4-(benzenesulfonamido)phenyl]propanamide
CID 23653372

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylcarbamoylamino)-3,3-diphenylpropanamide?
The IUPAC name of 2-(benzenesulfonylcarbamoylamino)-3,3-diphenylpropanamide (CID 140737179) is 2-(benzenesulfonylcarbamoylamino)-3,3-diphenylpropanamide.
What is the SMILES notation for 2-(benzenesulfonylcarbamoylamino)-3,3-diphenylpropanamide?
The canonical SMILES for 2-(benzenesulfonylcarbamoylamino)-3,3-diphenylpropanamide is NC(=O)C(NC(=O)NS(=O)(=O)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylcarbamoylamino)-3,3-diphenylpropanamide?
The InChIKey is DHQKHPHRYWYTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c23-21(26)20(24-22(27)25-30(28,29)18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-20H,(H2,23,26)(H2,24,25,27).
What are the key properties of 2-(benzenesulfonylcarbamoylamino)-3,3-diphenylpropanamide?
2-(benzenesulfonylcarbamoylamino)-3,3-diphenylpropanamide has a molecular weight of 423.49 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylcarbamoylamino)-3,3-diphenylpropanamide is sourced from PubChem (CID 140737179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).