N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide

C20H18N2O3S — CID 18904484

IUPACN-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)CSc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C20H18N2O3S/c1-14-7-9-15(10-8-14)21-19(23)13-26-17-5-2-4-16(12-17)22-20(24)18-6-3-11-25-18/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyCTNWTICVYIRULD-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.57
Rot. Bonds6

About N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide

N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide (PubChem CID 18904484) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
PubChem CID18904484
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)CSc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C20H18N2O3S/c1-14-7-9-15(10-8-14)21-19(23)13-26-17-5-2-4-16(12-17)22-20(24)18-6-3-11-25-18/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyCTNWTICVYIRULD-UHFFFAOYSA-N
XLogP4.57
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093492
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493
2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 18901028
N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904471
N-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907054
N-[3-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904507
N-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904628
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide
CID 19318751
N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18913164
N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 19630614
N-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide
CID 19318373
N-[3-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907057

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide (CID 18904484) is N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide is Cc1ccc(NC(=O)CSc2cccc(NC(=O)c3ccco3)c2)cc1.
What is the InChIKey of N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
The InChIKey is CTNWTICVYIRULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-14-7-9-15(10-8-14)21-19(23)13-26-17-5-2-4-16(12-17)22-20(24)18-6-3-11-25-18/h2-12H,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide is sourced from PubChem (CID 18904484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).