N-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide

C14H15NO3S — CID 22554432

IUPACN-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(CS(=O)c2cccc(C)c2)o1
InChIInChI=1S/C14H15NO3S/c1-10-4-3-5-12(8-10)19(17)9-11-6-7-13(18-11)14(16)15-2/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyFUNYSSFNNVWRSE-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.26
Rot. Bonds4

About N-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide

N-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide (PubChem CID 22554432) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
PubChem CID22554432
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC NameN-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(CS(=O)c2cccc(C)c2)o1
InChIInChI=1S/C14H15NO3S/c1-10-4-3-5-12(8-10)19(17)9-11-6-7-13(18-11)14(16)15-2/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyFUNYSSFNNVWRSE-UHFFFAOYSA-N
XLogP2.26
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554431
N-[2-(4-chlorophenyl)ethyl]-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554411
5-[(3,5-dimethylphenyl)sulfinylmethyl]furan-2-carboxylic acid
CID 53212367
N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554736
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 22554499
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 22554498
N-(2-chlorophenyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 24897438
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
CID 22554522
N-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 20859500
5-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 92687419
[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[5-[[(S)-phenylsulfinyl]methyl]furan-2-yl]methanone
CID 92662326

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
The IUPAC name of N-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide (CID 22554432) is N-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide is CNC(=O)c1ccc(CS(=O)c2cccc(C)c2)o1.
What is the InChIKey of N-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
The InChIKey is FUNYSSFNNVWRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-10-4-3-5-12(8-10)19(17)9-11-6-7-13(18-11)14(16)15-2/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of N-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
N-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide is sourced from PubChem (CID 22554432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).