3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide

C14H22ClN3O3S — CID 113143874

IUPAC3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22ClN3O3S/c1-17(2)11-9-16-14(19)8-10-18(22(3,20)21)13-6-4-12(15)5-7-13/h4-7H,8-11H2,1-3H3,(H,16,19)
InChIKeyWUSVMVHNAJXLCS-UHFFFAOYSA-N
MW347.87 g/mol
LogP1.17
Rot. Bonds8

About 3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide

3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 113143874) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is 3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID113143874
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC Name3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22ClN3O3S/c1-17(2)11-9-16-14(19)8-10-18(22(3,20)21)13-6-4-12(15)5-7-13/h4-7H,8-11H2,1-3H3,(H,16,19)
InChIKeyWUSVMVHNAJXLCS-UHFFFAOYSA-N
XLogP1.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide 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-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113146558
3-(2,6-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113146588
N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142352
N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143904
3-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113146189
N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141459
N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143863
3-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113143922
3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113142775
3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143520
N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141870
3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113143927

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide (CID 113143874) is 3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide is CN(C)CCNC(=O)CCN(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is WUSVMVHNAJXLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O3S/c1-17(2)11-9-16-14(19)8-10-18(22(3,20)21)13-6-4-12(15)5-7-13/h4-7H,8-11H2,1-3H3,(H,16,19).
What are the key properties of 3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 347.87 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 113143874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).