N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide

C17H26N2O3S — CID 113142233

IUPACN-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(CCC(=O)NC2CCCC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C17H26N2O3S/c1-13-8-9-16(12-14(13)2)19(23(3,21)22)11-10-17(20)18-15-6-4-5-7-15/h8-9,12,15H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKeyULURTSANWJSWBL-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.52
Rot. Bonds6

About N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide

N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 113142233) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
PubChem CID113142233
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(CCC(=O)NC2CCCC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C17H26N2O3S/c1-13-8-9-16(12-14(13)2)19(23(3,21)22)11-10-17(20)18-15-6-4-5-7-15/h8-9,12,15H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKeyULURTSANWJSWBL-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)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-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113144205
N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145193
3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113144351
3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113144427
N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145276
3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146938
3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146821
methyl 3-[[3-(cyclohexylamino)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113145595
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142293
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 113154945
N-cyclohexyl-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide
CID 113142895
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142277

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide (CID 113142233) is N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N(CCC(=O)NC2CCCC2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is ULURTSANWJSWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-8-9-16(12-14(13)2)19(23(3,21)22)11-10-17(20)18-15-6-4-5-7-15/h8-9,12,15H,4-7,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 338.47 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113142233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).