N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C18H15ClN2O3S — CID 51330571

IUPACN-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(NC(=O)c2ccco2)s1)c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O3S/c1-11(12-4-2-5-13(19)10-12)20-18(23)15-7-8-16(25-15)21-17(22)14-6-3-9-24-14/h2-11H,1H3,(H,20,23)(H,21,22)
InChIKeyGAZKVORJPJEDLI-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.74
Rot. Bonds5

About N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 51330571) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID51330571
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC NameN-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(NC(=O)c2ccco2)s1)c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O3S/c1-11(12-4-2-5-13(19)10-12)20-18(23)15-7-8-16(25-15)21-17(22)14-6-3-9-24-14/h2-11H,1H3,(H,20,23)(H,21,22)
InChIKeyGAZKVORJPJEDLI-UHFFFAOYSA-N
XLogP4.74
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[1-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46512347
N-[5-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46420472
N-[5-[1-(2-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330570
N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31310103
N-[5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55745988
N-[5-[(4-chloro-2-fluorophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302478
N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 17468523
N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 26908057
N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 32909045
N-[5-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31313716
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909262
[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18287735

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 51330571) is N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccc(NC(=O)c2ccco2)s1)c1cccc(Cl)c1.
What is the InChIKey of N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is GAZKVORJPJEDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c1-11(12-4-2-5-13(19)10-12)20-18(23)15-7-8-16(25-15)21-17(22)14-6-3-9-24-14/h2-11H,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 374.85 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51330571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).