N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide

C19H21N3O4S — CID 39821970

IUPACN-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
SMILESO=C(CNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)NCc1ccccc1
InChIInChI=1S/C19H21N3O4S/c23-18(20-12-14-5-2-1-3-6-14)13-21-19(24)15-7-4-8-17(11-15)27(25,26)22-16-9-10-16/h1-8,11,16,22H,9-10,12-13H2,(H,20,23)(H,21,24)
InChIKeyCPBBWQRMJLTTTA-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.17
Rot. Bonds8

About N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide

N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide (PubChem CID 39821970) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
PubChem CID39821970
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
SMILESO=C(CNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)NCc1ccccc1
InChIInChI=1S/C19H21N3O4S/c23-18(20-12-14-5-2-1-3-6-14)13-21-19(24)15-7-4-8-17(11-15)27(25,26)22-16-9-10-16/h1-8,11,16,22H,9-10,12-13H2,(H,20,23)(H,21,24)
InChIKeyCPBBWQRMJLTTTA-UHFFFAOYSA-N
XLogP1.17
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55879006
3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide
CID 119405427
3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 109064880
3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55705272
N-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
CID 46437314
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119495504
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-(cyclopropylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 30867031

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide (CID 39821970) is N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide is O=C(CNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide?
The InChIKey is CPBBWQRMJLTTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c23-18(20-12-14-5-2-1-3-6-14)13-21-19(24)15-7-4-8-17(11-15)27(25,26)22-16-9-10-16/h1-8,11,16,22H,9-10,12-13H2,(H,20,23)(H,21,24).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide?
N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide has a molecular weight of 387.46 g/mol, XLogP of 1.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 39821970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).