N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride

C19H26ClN3O3S — CID 119438206

IUPACN-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(CNCC)c2)cc1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-3-12-26(24,25)22-17-10-8-16(9-11-17)19(23)21-18-7-5-6-15(13-18)14-20-4-2;/h5-11,13,20,22H,3-4,12,14H2,1-2H3,(H,21,23);1H
InChIKeyNNXJVQFITSKKLD-UHFFFAOYSA-N
MW411.96 g/mol
LogP3.62
Rot. Bonds9

About N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride

N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride (PubChem CID 119438206) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride
PubChem CID119438206
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(CNCC)c2)cc1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-3-12-26(24,25)22-17-10-8-16(9-11-17)19(23)21-18-7-5-6-15(13-18)14-20-4-2;/h5-11,13,20,22H,3-4,12,14H2,1-2H3,(H,21,23);1H
InChIKeyNNXJVQFITSKKLD-UHFFFAOYSA-N
XLogP3.62
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride 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-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide
CID 55946962
4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 119438655
4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 43601262
4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide
CID 2996698
N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
CID 142682977
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide
CID 47070233
3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide
CID 47078326
3-bromo-N-[3-(ethylaminomethyl)phenyl]-5-fluorobenzamide
CID 43601129
N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 119438044
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119438516

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride (CID 119438206) is N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride is CCCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(CNCC)c2)cc1.Cl.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride?
The InChIKey is NNXJVQFITSKKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c1-3-12-26(24,25)22-17-10-8-16(9-11-17)19(23)21-18-7-5-6-15(13-18)14-20-4-2;/h5-11,13,20,22H,3-4,12,14H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride?
N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 3.62, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride is sourced from PubChem (CID 119438206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).