N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide

C19H15ClN2O3S — CID 1093497

IUPACN-[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H15ClN2O3S/c20-13-3-9-16(10-4-13)26-12-18(23)21-14-5-7-15(8-6-14)22-19(24)17-2-1-11-25-17/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyUOHHCHMHQVBAMB-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.92
Rot. Bonds6

About N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide

N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 1093497) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide
PubChem CID1093497
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC NameN-[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H15ClN2O3S/c20-13-3-9-16(10-4-13)26-12-18(23)21-14-5-7-15(8-6-14)22-19(24)17-2-1-11-25-17/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyUOHHCHMHQVBAMB-UHFFFAOYSA-N
XLogP4.92
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide (CID 1093497) is N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide is O=C(CSc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is UOHHCHMHQVBAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c20-13-3-9-16(10-4-13)26-12-18(23)21-14-5-7-15(8-6-14)22-19(24)17-2-1-11-25-17/h1-11H,12H2,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide?
N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1093497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).