N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide

C21H27NO3S — CID 92662337

IUPACN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide
SMILESCc1ccc([S@](=O)Cc2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)o2)cc1
InChIInChI=1S/C21H27NO3S/c1-14-7-10-18(11-8-14)26(24)13-17-9-12-20(25-17)21(23)22-19-6-4-5-15(2)16(19)3/h7-12,15-16,19H,4-6,13H2,1-3H3,(H,22,23)/t15-,16-,19-,26-/m1/s1
InChIKeyWSKNIZBQFJRIPE-AYPKKINHSA-N
MW373.52 g/mol
LogP4.45
Rot. Bonds5

About N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide (PubChem CID 92662337) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide
PubChem CID92662337
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide
SMILESCc1ccc([S@](=O)Cc2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)o2)cc1
InChIInChI=1S/C21H27NO3S/c1-14-7-10-18(11-8-14)26(24)13-17-9-12-20(25-17)21(23)22-19-6-4-5-15(2)16(19)3/h7-12,15-16,19H,4-6,13H2,1-3H3,(H,22,23)/t15-,16-,19-,26-/m1/s1
InChIKeyWSKNIZBQFJRIPE-AYPKKINHSA-N
XLogP4.45
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(S)-(4-methylphenyl)methylsulfinyl]methyl]furan-2-carboxamide
CID 99843514
N-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 20859500
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
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 51423941
5-[(4-chlorophenyl)sulfonylmethyl]-N-(2,3-dimethylcyclohexyl)furan-2-carboxamide
CID 15995022
(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 11923056
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 40617423
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 51671096
N-(2,3-dimethylcyclohexyl)-3-[(4-methylphenyl)methylsulfanyl]propanamide
CID 4987743
2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 112770347

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide (CID 92662337) is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide is Cc1ccc([S@](=O)Cc2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)o2)cc1.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide?
The InChIKey is WSKNIZBQFJRIPE-AYPKKINHSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-14-7-10-18(11-8-14)26(24)13-17-9-12-20(25-17)21(23)22-19-6-4-5-15(2)16(19)3/h7-12,15-16,19H,4-6,13H2,1-3H3,(H,22,23)/t15-,16-,19-,26-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide?
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 92662337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).