3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cyclohexyl-3-methylbutanamide

C18H27ClN2O3S — CID 70650937

IUPAC3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cyclohexyl-3-methylbutanamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)NC1CCCCC1
InChIInChI=1S/C18H27ClN2O3S/c1-13-15(19)10-7-11-16(13)25(23,24)21-18(2,3)12-17(22)20-14-8-5-4-6-9-14/h7,10-11,14,21H,4-6,8-9,12H2,1-3H3,(H,20,22)
InChIKeyZQXFUHOJQBFRQE-UHFFFAOYSA-N
MW386.95 g/mol
LogP3.54
Rot. Bonds6

About 3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cyclohexyl-3-methylbutanamide

3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cyclohexyl-3-methylbutanamide (PubChem CID 70650937) has the molecular formula C18H27ClN2O3S and a molecular weight of 386.95 g/mol. Its IUPAC name is 3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cyclohexyl-3-methylbutanamide.

Molecular Properties

Compound Name3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cyclohexyl-3-methylbutanamide
PubChem CID70650937
Molecular FormulaC18H27ClN2O3S
Molecular Weight386.95 g/mol
Exact Mass386.14
IUPAC Name3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cyclohexyl-3-methylbutanamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)NC1CCCCC1
InChIInChI=1S/C18H27ClN2O3S/c1-13-15(19)10-7-11-16(13)25(23,24)21-18(2,3)12-17(22)20-14-8-5-4-6-9-14/h7,10-11,14,21H,4-6,8-9,12H2,1-3H3,(H,20,22)
InChIKeyZQXFUHOJQBFRQE-UHFFFAOYSA-N
XLogP3.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cyclohexyl-3-methylbutanamide?
The IUPAC name of 3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cyclohexyl-3-methylbutanamide (CID 70650937) is 3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cyclohexyl-3-methylbutanamide.
What is the SMILES notation for 3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cyclohexyl-3-methylbutanamide?
The canonical SMILES for 3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cyclohexyl-3-methylbutanamide is Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)NC1CCCCC1.
What is the InChIKey of 3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cyclohexyl-3-methylbutanamide?
The InChIKey is ZQXFUHOJQBFRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3S/c1-13-15(19)10-7-11-16(13)25(23,24)21-18(2,3)12-17(22)20-14-8-5-4-6-9-14/h7,10-11,14,21H,4-6,8-9,12H2,1-3H3,(H,20,22).
What are the key properties of 3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cyclohexyl-3-methylbutanamide?
3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cyclohexyl-3-methylbutanamide has a molecular weight of 386.95 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cyclohexyl-3-methylbutanamide is sourced from PubChem (CID 70650937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).