N-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide

C20H25NO3S — CID 20859500

IUPACN-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCc1ccc(S(=O)Cc2ccc(C(=O)NC3CCC(C)CC3)o2)cc1
InChIInChI=1S/C20H25NO3S/c1-14-3-7-16(8-4-14)21-20(22)19-12-9-17(24-19)13-25(23)18-10-5-15(2)6-11-18/h5-6,9-12,14,16H,3-4,7-8,13H2,1-2H3,(H,21,22)
InChIKeyKOBJMTHXPUSKDF-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.20
Rot. Bonds5

About N-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide

N-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide (PubChem CID 20859500) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
PubChem CID20859500
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCc1ccc(S(=O)Cc2ccc(C(=O)NC3CCC(C)CC3)o2)cc1
InChIInChI=1S/C20H25NO3S/c1-14-3-7-16(8-4-14)21-20(22)19-12-9-17(24-19)13-25(23)18-10-5-15(2)6-11-18/h5-6,9-12,14,16H,3-4,7-8,13H2,1-2H3,(H,21,22)
InChIKeyKOBJMTHXPUSKDF-UHFFFAOYSA-N
XLogP4.20
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide
CID 92662337
N-cyclohexyl-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 20859562
N-(2-chlorophenyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 24897438
N-cyclopentyl-5-[(2-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 5309672
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(S)-(4-methylphenyl)methylsulfinyl]methyl]furan-2-carboxamide
CID 99843514
N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023
5-[(4-methylphenyl)methylsulfinylmethyl]-N-propylfuran-2-carboxamide
CID 20899328
N-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554432
N-butyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554431
5-(benzenesulfinylmethyl)-N-[3-(3-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 20859479
5-ethyl-N-piperidin-4-ylfuran-2-carboxamide
CID 78981214
5-[(3,5-dimethylphenyl)sulfinylmethyl]furan-2-carboxylic acid
CID 53212367

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide (CID 20859500) is N-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide is Cc1ccc(S(=O)Cc2ccc(C(=O)NC3CCC(C)CC3)o2)cc1.
What is the InChIKey of N-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
The InChIKey is KOBJMTHXPUSKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-14-3-7-16(8-4-14)21-20(22)19-12-9-17(24-19)13-25(23)18-10-5-15(2)6-11-18/h5-6,9-12,14,16H,3-4,7-8,13H2,1-2H3,(H,21,22).
What are the key properties of N-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
N-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide has a molecular weight of 359.49 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide is sourced from PubChem (CID 20859500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).