2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide

C22H22N4O4S — CID 24638122

IUPAC2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide
SMILESNC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H22N4O4S/c23-22(28)25-20(15-16-7-3-1-4-8-16)21(27)24-17-11-13-19(14-12-17)31(29,30)26-18-9-5-2-6-10-18/h1-14,20,26H,15H2,(H,24,27)(H3,23,25,28)
InChIKeyNOLIEIMNXRAFPF-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.71
Rot. Bonds8

About 2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide

2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide (PubChem CID 24638122) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide
PubChem CID24638122
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC Name2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide
SMILESNC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H22N4O4S/c23-22(28)25-20(15-16-7-3-1-4-8-16)21(27)24-17-11-13-19(14-12-17)31(29,30)26-18-9-5-2-6-10-18/h1-14,20,26H,15H2,(H,24,27)(H3,23,25,28)
InChIKeyNOLIEIMNXRAFPF-UHFFFAOYSA-N
XLogP2.71
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 134008809
2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 18160503
4-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
CID 28541065
(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
CID 98302323
(2S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 43006853
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 41374475
(2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide
CID 137435183
2-(carbamoylamino)-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 24636305
(2R)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40931965
tert-butyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-3-phenylpropanoate
CID 137435192
(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 9219440

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide (CID 24638122) is 2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide is NC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide?
The InChIKey is NOLIEIMNXRAFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c23-22(28)25-20(15-16-7-3-1-4-8-16)21(27)24-17-11-13-19(14-12-17)31(29,30)26-18-9-5-2-6-10-18/h1-14,20,26H,15H2,(H,24,27)(H3,23,25,28).
What are the key properties of 2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide?
2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide has a molecular weight of 438.51 g/mol, XLogP of 2.71, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 24638122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).