N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide

C17H24Cl2N2O3S2 — CID 112803692

IUPACN-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N(C)C1CCCC1
InChIInChI=1S/C17H24Cl2N2O3S2/c1-21(13-5-3-4-6-13)17(22)15(9-10-25-2)20-26(23,24)16-11-12(18)7-8-14(16)19/h7-8,11,13,15,20H,3-6,9-10H2,1-2H3
InChIKeyFHJCTABEDFVDSJ-UHFFFAOYSA-N
MW439.43 g/mol
LogP3.79
Rot. Bonds8

About N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide

N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide (PubChem CID 112803692) has the molecular formula C17H24Cl2N2O3S2 and a molecular weight of 439.43 g/mol. Its IUPAC name is N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide
PubChem CID112803692
Molecular FormulaC17H24Cl2N2O3S2
Molecular Weight439.43 g/mol
Exact Mass438.06
IUPAC NameN-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N(C)C1CCCC1
InChIInChI=1S/C17H24Cl2N2O3S2/c1-21(13-5-3-4-6-13)17(22)15(9-10-25-2)20-26(23,24)16-11-12(18)7-8-14(16)19/h7-8,11,13,15,20H,3-6,9-10H2,1-2H3
InChIKeyFHJCTABEDFVDSJ-UHFFFAOYSA-N
XLogP3.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide 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

(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 2121600
2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide
CID 112760371
2,5-dichloro-N-[1-(4-cyclopentylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide
CID 55585011
4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide
CID 24647982
2-[(2,5-dichlorophenyl)sulfonylamino]-N-heptan-2-yl-4-methylsulfanylbutanamide
CID 43019434
2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 43017438
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid
CID 3856640
2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 55866835
2-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43091490
(2R)-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906639
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate
CID 113253329

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide (CID 112803692) is N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide is CSCCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N(C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is FHJCTABEDFVDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O3S2/c1-21(13-5-3-4-6-13)17(22)15(9-10-25-2)20-26(23,24)16-11-12(18)7-8-14(16)19/h7-8,11,13,15,20H,3-6,9-10H2,1-2H3.
What are the key properties of N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide?
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 439.43 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 112803692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).