2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]benzamide

C20H30ClN3O4S2 — CID 55905230

IUPAC2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]benzamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H30ClN3O4S2/c1-3-30(27,28)24-18(11-12-29-2)20(26)23-15-9-10-17(21)16(13-15)19(25)22-14-7-5-4-6-8-14/h9-10,13-14,18,24H,3-8,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOZZAQMCIOBQMDO-UHFFFAOYSA-N
MW476.06 g/mol
LogP3.40
Rot. Bonds10

About 2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]benzamide (PubChem CID 55905230) has the molecular formula C20H30ClN3O4S2 and a molecular weight of 476.06 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]benzamide
PubChem CID55905230
Molecular FormulaC20H30ClN3O4S2
Molecular Weight476.06 g/mol
Exact Mass475.14
IUPAC Name2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]benzamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H30ClN3O4S2/c1-3-30(27,28)24-18(11-12-29-2)20(26)23-15-9-10-17(21)16(13-15)19(25)22-14-7-5-4-6-8-14/h9-10,13-14,18,24H,3-8,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOZZAQMCIOBQMDO-UHFFFAOYSA-N
XLogP3.40
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.06
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]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

2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-methyl-5-[[(2S)-4-methylsulfanyl-2-(propanoylamino)butanoyl]amino]benzamide
CID 52510426
2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide
CID 55978369
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
CID 17188521
(2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide
CID 92845467
2-chloro-N-cyclohexyl-5-(propan-2-ylsulfamoyl)benzamide
CID 51160947
2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 17188484
2-chloro-N-cyclopropyl-4-[[4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoyl]amino]benzamide
CID 55971177
2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 17188475

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]benzamide (CID 55905230) is 2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]benzamide is CCS(=O)(=O)NC(CCSC)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]benzamide?
The InChIKey is OZZAQMCIOBQMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O4S2/c1-3-30(27,28)24-18(11-12-29-2)20(26)23-15-9-10-17(21)16(13-15)19(25)22-14-7-5-4-6-8-14/h9-10,13-14,18,24H,3-8,11-12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]benzamide has a molecular weight of 476.06 g/mol, XLogP of 3.40, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]benzamide is sourced from PubChem (CID 55905230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).