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

C19H16ClNO3S — CID 24897438

IUPACN-(2-chlorophenyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCc1ccc(S(=O)Cc2ccc(C(=O)Nc3ccccc3Cl)o2)cc1
InChIInChI=1S/C19H16ClNO3S/c1-13-6-9-15(10-7-13)25(23)12-14-8-11-18(24-14)19(22)21-17-5-3-2-4-16(17)20/h2-11H,12H2,1H3,(H,21,22)
InChIKeySKNKZHFQGKOVKD-UHFFFAOYSA-N
MW373.86 g/mol
LogP4.80
Rot. Bonds5

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

N-(2-chlorophenyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide (PubChem CID 24897438) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
PubChem CID24897438
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC NameN-(2-chlorophenyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCc1ccc(S(=O)Cc2ccc(C(=O)Nc3ccccc3Cl)o2)cc1
InChIInChI=1S/C19H16ClNO3S/c1-13-6-9-15(10-7-13)25(23)12-14-8-11-18(24-14)19(22)21-17-5-3-2-4-16(17)20/h2-11H,12H2,1H3,(H,21,22)
InChIKeySKNKZHFQGKOVKD-UHFFFAOYSA-N
XLogP4.80
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 20859500
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417
N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554736
5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 22554674
5-[(3-chlorophenoxy)methyl]-N-(2-chlorophenyl)furan-2-carboxamide
CID 35526540
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide
CID 92662337
5-amino-N-(2-chlorophenyl)furan-2-carboxamide
CID 82344260
N-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554432
5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide
CID 20859472
N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256282
N-[2-(4-chlorophenyl)ethyl]-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554411
N-(2,4-dichlorophenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830642

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide (CID 24897438) is N-(2-chlorophenyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide is Cc1ccc(S(=O)Cc2ccc(C(=O)Nc3ccccc3Cl)o2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
The InChIKey is SKNKZHFQGKOVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c1-13-6-9-15(10-7-13)25(23)12-14-8-11-18(24-14)19(22)21-17-5-3-2-4-16(17)20/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of N-(2-chlorophenyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
N-(2-chlorophenyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide has a molecular weight of 373.86 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide is sourced from PubChem (CID 24897438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).