N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide

C20H27N3O3S — CID 119384310

IUPACN-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCCN)ccc2C)cc1
InChIInChI=1S/C20H27N3O3S/c1-3-4-5-16-7-10-18(11-8-16)23-27(25,26)19-14-17(9-6-15(19)2)20(24)22-13-12-21/h6-11,14,23H,3-5,12-13,21H2,1-2H3,(H,22,24)
InChIKeyFEBPBGSXPBOAJG-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.83
Rot. Bonds9

About N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide

N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 119384310) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID119384310
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCCN)ccc2C)cc1
InChIInChI=1S/C20H27N3O3S/c1-3-4-5-16-7-10-18(11-8-16)23-27(25,26)19-14-17(9-6-15(19)2)20(24)22-13-12-21/h6-11,14,23H,3-5,12-13,21H2,1-2H3,(H,22,24)
InChIKeyFEBPBGSXPBOAJG-UHFFFAOYSA-N
XLogP2.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide 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

4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 2373077
N-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126416752
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoate
CID 25039319
[2-(4-nitrophenyl)-2-oxoethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoate
CID 25049438
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1022025
N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 119507136
N-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 133229112

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide (CID 119384310) is N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide is CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCCN)ccc2C)cc1.
What is the InChIKey of N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is FEBPBGSXPBOAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-3-4-5-16-7-10-18(11-8-16)23-27(25,26)19-14-17(9-6-15(19)2)20(24)22-13-12-21/h6-11,14,23H,3-5,12-13,21H2,1-2H3,(H,22,24).
What are the key properties of N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide?
N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 389.52 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 119384310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).