5-[(4-chlorophenyl)sulfonylmethyl]-N-(2,3-dimethylcyclohexyl)furan-2-carboxamide

C20H24ClNO4S — CID 15995022

IUPAC5-[(4-chlorophenyl)sulfonylmethyl]-N-(2,3-dimethylcyclohexyl)furan-2-carboxamide
SMILESCC1CCCC(NC(=O)c2ccc(CS(=O)(=O)c3ccc(Cl)cc3)o2)C1C
InChIInChI=1S/C20H24ClNO4S/c1-13-4-3-5-18(14(13)2)22-20(23)19-11-8-16(26-19)12-27(24,25)17-9-6-15(21)7-10-17/h6-11,13-14,18H,3-5,12H2,1-2H3,(H,22,23)
InChIKeyFQYWRYWGMAQSPA-UHFFFAOYSA-N
MW409.94 g/mol
LogP4.46
Rot. Bonds5

About 5-[(4-chlorophenyl)sulfonylmethyl]-N-(2,3-dimethylcyclohexyl)furan-2-carboxamide

5-[(4-chlorophenyl)sulfonylmethyl]-N-(2,3-dimethylcyclohexyl)furan-2-carboxamide (PubChem CID 15995022) has the molecular formula C20H24ClNO4S and a molecular weight of 409.94 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfonylmethyl]-N-(2,3-dimethylcyclohexyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfonylmethyl]-N-(2,3-dimethylcyclohexyl)furan-2-carboxamide
PubChem CID15995022
Molecular FormulaC20H24ClNO4S
Molecular Weight409.94 g/mol
Exact Mass409.11
IUPAC Name5-[(4-chlorophenyl)sulfonylmethyl]-N-(2,3-dimethylcyclohexyl)furan-2-carboxamide
SMILESCC1CCCC(NC(=O)c2ccc(CS(=O)(=O)c3ccc(Cl)cc3)o2)C1C
InChIInChI=1S/C20H24ClNO4S/c1-13-4-3-5-18(14(13)2)22-20(23)19-11-8-16(26-19)12-27(24,25)17-9-6-15(21)7-10-17/h6-11,13-14,18H,3-5,12H2,1-2H3,(H,22,23)
InChIKeyFQYWRYWGMAQSPA-UHFFFAOYSA-N
XLogP4.46
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
CID 51969450
N-(2,3-dimethylcyclohexyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24819810
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 25352780
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(S)-(4-methylphenyl)methylsulfinyl]methyl]furan-2-carboxamide
CID 99843514
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide
CID 92662337
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 51423941
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11929339
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 7041193
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 2374570
2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide
CID 43007916
3-[(4-chlorophenyl)methylsulfanyl]-N-(2,3-dimethylcyclohexyl)propanamide
CID 5215656
1-[[2-(4-chlorophenyl)acetyl]amino]-3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]thiourea
CID 11946243

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfonylmethyl]-N-(2,3-dimethylcyclohexyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)sulfonylmethyl]-N-(2,3-dimethylcyclohexyl)furan-2-carboxamide (CID 15995022) is 5-[(4-chlorophenyl)sulfonylmethyl]-N-(2,3-dimethylcyclohexyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfonylmethyl]-N-(2,3-dimethylcyclohexyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)sulfonylmethyl]-N-(2,3-dimethylcyclohexyl)furan-2-carboxamide is CC1CCCC(NC(=O)c2ccc(CS(=O)(=O)c3ccc(Cl)cc3)o2)C1C.
What is the InChIKey of 5-[(4-chlorophenyl)sulfonylmethyl]-N-(2,3-dimethylcyclohexyl)furan-2-carboxamide?
The InChIKey is FQYWRYWGMAQSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4S/c1-13-4-3-5-18(14(13)2)22-20(23)19-11-8-16(26-19)12-27(24,25)17-9-6-15(21)7-10-17/h6-11,13-14,18H,3-5,12H2,1-2H3,(H,22,23).
What are the key properties of 5-[(4-chlorophenyl)sulfonylmethyl]-N-(2,3-dimethylcyclohexyl)furan-2-carboxamide?
5-[(4-chlorophenyl)sulfonylmethyl]-N-(2,3-dimethylcyclohexyl)furan-2-carboxamide has a molecular weight of 409.94 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfonylmethyl]-N-(2,3-dimethylcyclohexyl)furan-2-carboxamide is sourced from PubChem (CID 15995022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).