N-[[4-[(2-propylphenyl)sulfamoyl]phenyl]carbamoyl]propanamide

C19H23N3O4S — CID 66576127

IUPACN-[[4-[(2-propylphenyl)sulfamoyl]phenyl]carbamoyl]propanamide
SMILESCCCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)NC(=O)CC)cc1
InChIInChI=1S/C19H23N3O4S/c1-3-7-14-8-5-6-9-17(14)22-27(25,26)16-12-10-15(11-13-16)20-19(24)21-18(23)4-2/h5-6,8-13,22H,3-4,7H2,1-2H3,(H2,20,21,23,24)
InChIKeyMJMAHTZVFVVFLN-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.50
Rot. Bonds7

About N-[[4-[(2-propylphenyl)sulfamoyl]phenyl]carbamoyl]propanamide

N-[[4-[(2-propylphenyl)sulfamoyl]phenyl]carbamoyl]propanamide (PubChem CID 66576127) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[[4-[(2-propylphenyl)sulfamoyl]phenyl]carbamoyl]propanamide.

Molecular Properties

Compound NameN-[[4-[(2-propylphenyl)sulfamoyl]phenyl]carbamoyl]propanamide
PubChem CID66576127
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[[4-[(2-propylphenyl)sulfamoyl]phenyl]carbamoyl]propanamide
SMILESCCCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)NC(=O)CC)cc1
InChIInChI=1S/C19H23N3O4S/c1-3-7-14-8-5-6-9-17(14)22-27(25,26)16-12-10-15(11-13-16)20-19(24)21-18(23)4-2/h5-6,8-13,22H,3-4,7H2,1-2H3,(H2,20,21,23,24)
InChIKeyMJMAHTZVFVVFLN-UHFFFAOYSA-N
XLogP3.50
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(2-propylphenyl)sulfamoyl]phenyl]carbamoyl]propanamide
CID 66576050
N-[4-[(2-ethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 22306495
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 118386826
N-(2-butylphenyl)-4-ethoxybenzenesulfonamide
CID 22774366
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-phenylacetamide
CID 22306588
1-(4-methoxyphenyl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]urea
CID 1405682
4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide
CID 103710385
5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 43707205
1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615674
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide
CID 47364001

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-propylphenyl)sulfamoyl]phenyl]carbamoyl]propanamide?
The IUPAC name of N-[[4-[(2-propylphenyl)sulfamoyl]phenyl]carbamoyl]propanamide (CID 66576127) is N-[[4-[(2-propylphenyl)sulfamoyl]phenyl]carbamoyl]propanamide.
What is the SMILES notation for N-[[4-[(2-propylphenyl)sulfamoyl]phenyl]carbamoyl]propanamide?
The canonical SMILES for N-[[4-[(2-propylphenyl)sulfamoyl]phenyl]carbamoyl]propanamide is CCCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)NC(=O)CC)cc1.
What is the InChIKey of N-[[4-[(2-propylphenyl)sulfamoyl]phenyl]carbamoyl]propanamide?
The InChIKey is MJMAHTZVFVVFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-3-7-14-8-5-6-9-17(14)22-27(25,26)16-12-10-15(11-13-16)20-19(24)21-18(23)4-2/h5-6,8-13,22H,3-4,7H2,1-2H3,(H2,20,21,23,24).
What are the key properties of N-[[4-[(2-propylphenyl)sulfamoyl]phenyl]carbamoyl]propanamide?
N-[[4-[(2-propylphenyl)sulfamoyl]phenyl]carbamoyl]propanamide has a molecular weight of 389.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-propylphenyl)sulfamoyl]phenyl]carbamoyl]propanamide is sourced from PubChem (CID 66576127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).