3-[ethyl(propyl)sulfamoyl]-N-[3-hydroxy-4-[(3-methylphenyl)methylamino]butan-2-yl]benzamide

C24H35N3O4S — CID 142242110

IUPAC3-[ethyl(propyl)sulfamoyl]-N-[3-hydroxy-4-[(3-methylphenyl)methylamino]butan-2-yl]benzamide
SMILESCCCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C)C(O)CNCc2cccc(C)c2)c1
InChIInChI=1S/C24H35N3O4S/c1-5-13-27(6-2)32(30,31)22-12-8-11-21(15-22)24(29)26-19(4)23(28)17-25-16-20-10-7-9-18(3)14-20/h7-12,14-15,19,23,25,28H,5-6,13,16-17H2,1-4H3,(H,26,29)
InChIKeyFSBGBSSDVZROSS-UHFFFAOYSA-N
MW461.63 g/mol
LogP2.68
Rot. Bonds12

About 3-[ethyl(propyl)sulfamoyl]-N-[3-hydroxy-4-[(3-methylphenyl)methylamino]butan-2-yl]benzamide

3-[ethyl(propyl)sulfamoyl]-N-[3-hydroxy-4-[(3-methylphenyl)methylamino]butan-2-yl]benzamide (PubChem CID 142242110) has the molecular formula C24H35N3O4S and a molecular weight of 461.63 g/mol. Its IUPAC name is 3-[ethyl(propyl)sulfamoyl]-N-[3-hydroxy-4-[(3-methylphenyl)methylamino]butan-2-yl]benzamide.

Molecular Properties

Compound Name3-[ethyl(propyl)sulfamoyl]-N-[3-hydroxy-4-[(3-methylphenyl)methylamino]butan-2-yl]benzamide
PubChem CID142242110
Molecular FormulaC24H35N3O4S
Molecular Weight461.63 g/mol
Exact Mass461.23
IUPAC Name3-[ethyl(propyl)sulfamoyl]-N-[3-hydroxy-4-[(3-methylphenyl)methylamino]butan-2-yl]benzamide
SMILESCCCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C)C(O)CNCc2cccc(C)c2)c1
InChIInChI=1S/C24H35N3O4S/c1-5-13-27(6-2)32(30,31)22-12-8-11-21(15-22)24(29)26-19(4)23(28)17-25-16-20-10-7-9-18(3)14-20/h7-12,14-15,19,23,25,28H,5-6,13,16-17H2,1-4H3,(H,26,29)
InChIKeyFSBGBSSDVZROSS-UHFFFAOYSA-N
XLogP2.68
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[ethyl(propyl)sulfamoyl]-N-[3-hydroxy-4-[(3-methylphenyl)methylamino]butan-2-yl]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

3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide
CID 60579922
3-(dipropylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26914144
N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 120505672
N,N-diethyl-3-[[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]carbamoyl]benzenesulfonamide
CID 35506386
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
N-[(2S)-1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 24539961
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 33022275
3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 33281109
3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396
3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide
CID 109019631

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propyl)sulfamoyl]-N-[3-hydroxy-4-[(3-methylphenyl)methylamino]butan-2-yl]benzamide?
The IUPAC name of 3-[ethyl(propyl)sulfamoyl]-N-[3-hydroxy-4-[(3-methylphenyl)methylamino]butan-2-yl]benzamide (CID 142242110) is 3-[ethyl(propyl)sulfamoyl]-N-[3-hydroxy-4-[(3-methylphenyl)methylamino]butan-2-yl]benzamide.
What is the SMILES notation for 3-[ethyl(propyl)sulfamoyl]-N-[3-hydroxy-4-[(3-methylphenyl)methylamino]butan-2-yl]benzamide?
The canonical SMILES for 3-[ethyl(propyl)sulfamoyl]-N-[3-hydroxy-4-[(3-methylphenyl)methylamino]butan-2-yl]benzamide is CCCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C)C(O)CNCc2cccc(C)c2)c1.
What is the InChIKey of 3-[ethyl(propyl)sulfamoyl]-N-[3-hydroxy-4-[(3-methylphenyl)methylamino]butan-2-yl]benzamide?
The InChIKey is FSBGBSSDVZROSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4S/c1-5-13-27(6-2)32(30,31)22-12-8-11-21(15-22)24(29)26-19(4)23(28)17-25-16-20-10-7-9-18(3)14-20/h7-12,14-15,19,23,25,28H,5-6,13,16-17H2,1-4H3,(H,26,29).
What are the key properties of 3-[ethyl(propyl)sulfamoyl]-N-[3-hydroxy-4-[(3-methylphenyl)methylamino]butan-2-yl]benzamide?
3-[ethyl(propyl)sulfamoyl]-N-[3-hydroxy-4-[(3-methylphenyl)methylamino]butan-2-yl]benzamide has a molecular weight of 461.63 g/mol, XLogP of 2.68, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propyl)sulfamoyl]-N-[3-hydroxy-4-[(3-methylphenyl)methylamino]butan-2-yl]benzamide is sourced from PubChem (CID 142242110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).