2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide

C20H25ClN2O4S — CID 42971231

IUPAC2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-15-5-2-3-7-19(15)22-20(24)14-23(13-17-6-4-12-27-17)28(25,26)18-10-8-16(21)9-11-18/h4,6,8-12,15,19H,2-3,5,7,13-14H2,1H3,(H,22,24)
InChIKeyCJLJFIKBPSMKOH-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.82
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide

2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide (PubChem CID 42971231) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
PubChem CID42971231
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-15-5-2-3-7-19(15)22-20(24)14-23(13-17-6-4-12-27-17)28(25,26)18-10-8-16(21)9-11-18/h4,6,8-12,15,19H,2-3,5,7,13-14H2,1H3,(H,22,24)
InChIKeyCJLJFIKBPSMKOH-UHFFFAOYSA-N
XLogP3.82
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide
CID 42989106
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride
CID 50894442
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 50894441
N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 4793403
N-cyclopentyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150243
4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide
CID 4964811
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide
CID 1247881
N-(2-methylcyclohexyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 4786607
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]methyl]benzamide
CID 55591604
2-(furan-2-ylmethylamino)-N-(2-methylcyclohexyl)acetamide
CID 54773430
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 126069306
N-(3-chlorophenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 2459887

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide (CID 42971231) is 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is CJLJFIKBPSMKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-15-5-2-3-7-19(15)22-20(24)14-23(13-17-6-4-12-27-17)28(25,26)18-10-8-16(21)9-11-18/h4,6,8-12,15,19H,2-3,5,7,13-14H2,1H3,(H,22,24).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 424.95 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 42971231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).