N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide

C20H27N3O3S — CID 119439947

IUPACN-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide
SMILESCCNCc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1
InChIInChI=1S/C20H27N3O3S/c1-4-21-14-17-7-5-6-8-19(17)23-20(24)16-9-11-18(12-10-16)27(25,26)22-13-15(2)3/h5-12,15,21-22H,4,13-14H2,1-3H3,(H,23,24)
InChIKeyATKUWOILTVUVCF-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.98
Rot. Bonds9

About N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide

N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide (PubChem CID 119439947) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide
PubChem CID119439947
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide
SMILESCCNCc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1
InChIInChI=1S/C20H27N3O3S/c1-4-21-14-17-7-5-6-8-19(17)23-20(24)16-9-11-18(12-10-16)27(25,26)22-13-15(2)3/h5-12,15,21-22H,4,13-14H2,1-3H3,(H,23,24)
InChIKeyATKUWOILTVUVCF-UHFFFAOYSA-N
XLogP2.98
TPSA87.30 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 ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)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-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119439653
4-(2-methylpropylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 109058952
N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide
CID 109058046
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119438951
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119438950
N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 119438772
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide
CID 79213773
4-(ethylsulfamoyl)-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55990432
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
N-(4-ethylphenyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 109058950

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide (CID 119439947) is N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide is CCNCc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is ATKUWOILTVUVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-4-21-14-17-7-5-6-8-19(17)23-20(24)16-9-11-18(12-10-16)27(25,26)22-13-15(2)3/h5-12,15,21-22H,4,13-14H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide?
N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 389.52 g/mol, XLogP of 2.98, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 119439947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).