N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide

C18H16N2O3S — CID 17397396

IUPACN-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(NCCc1cccs1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H16N2O3S/c21-17(19-10-9-15-3-2-12-24-15)13-5-7-14(8-6-13)20-18(22)16-4-1-11-23-16/h1-8,11-12H,9-10H2,(H,19,21)(H,20,22)
InChIKeyHDCSJGIJDXLGSO-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.57
Rot. Bonds6

About N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide

N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 17397396) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID17397396
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(NCCc1cccs1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H16N2O3S/c21-17(19-10-9-15-3-2-12-24-15)13-5-7-14(8-6-13)20-18(22)16-4-1-11-23-16/h1-8,11-12H,9-10H2,(H,19,21)(H,20,22)
InChIKeyHDCSJGIJDXLGSO-UHFFFAOYSA-N
XLogP3.57
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062754
N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111349578
tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate
CID 27770407
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 62165167
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 17229741
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 9270038
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 26285211
N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062902
N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 17407524

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide (CID 17397396) is N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide is O=C(NCCc1cccs1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is HDCSJGIJDXLGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-17(19-10-9-15-3-2-12-24-15)13-5-7-14(8-6-13)20-18(22)16-4-1-11-23-16/h1-8,11-12H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide?
N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 17397396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).