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

C19H23NO3S — CID 20859562

IUPACN-cyclohexyl-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCc1ccccc1S(=O)Cc1ccc(C(=O)NC2CCCCC2)o1
InChIInChI=1S/C19H23NO3S/c1-14-7-5-6-10-18(14)24(22)13-16-11-12-17(23-16)19(21)20-15-8-3-2-4-9-15/h5-7,10-12,15H,2-4,8-9,13H2,1H3,(H,20,21)
InChIKeyWQUJKQLJCMGQRV-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.96
Rot. Bonds5

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

N-cyclohexyl-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide (PubChem CID 20859562) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-cyclohexyl-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide
PubChem CID20859562
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-cyclohexyl-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCc1ccccc1S(=O)Cc1ccc(C(=O)NC2CCCCC2)o1
InChIInChI=1S/C19H23NO3S/c1-14-7-5-6-10-18(14)24(22)13-16-11-12-17(23-16)19(21)20-15-8-3-2-4-9-15/h5-7,10-12,15H,2-4,8-9,13H2,1H3,(H,20,21)
InChIKeyWQUJKQLJCMGQRV-UHFFFAOYSA-N
XLogP3.96
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide (CID 20859562) is N-cyclohexyl-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide is Cc1ccccc1S(=O)Cc1ccc(C(=O)NC2CCCCC2)o1.
What is the InChIKey of N-cyclohexyl-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
The InChIKey is WQUJKQLJCMGQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14-7-5-6-10-18(14)24(22)13-16-11-12-17(23-16)19(21)20-15-8-3-2-4-9-15/h5-7,10-12,15H,2-4,8-9,13H2,1H3,(H,20,21).
What are the key properties of N-cyclohexyl-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
N-cyclohexyl-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide has a molecular weight of 345.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide is sourced from PubChem (CID 20859562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).