N-(3-carbamoyl-5-phenylthiophen-2-yl)furan-2-carboxamide

C16H12N2O3S — CID 703986

IUPACN-(3-carbamoyl-5-phenylthiophen-2-yl)furan-2-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccco1
InChIInChI=1S/C16H12N2O3S/c17-14(19)11-9-13(10-5-2-1-3-6-10)22-16(11)18-15(20)12-7-4-8-21-12/h1-9H,(H2,17,19)(H,18,20)
InChIKeyHGMKFNNGZKCOSY-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.36
Rot. Bonds4

About N-(3-carbamoyl-5-phenylthiophen-2-yl)furan-2-carboxamide

N-(3-carbamoyl-5-phenylthiophen-2-yl)furan-2-carboxamide (PubChem CID 703986) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(3-carbamoyl-5-phenylthiophen-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-phenylthiophen-2-yl)furan-2-carboxamide
PubChem CID703986
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC NameN-(3-carbamoyl-5-phenylthiophen-2-yl)furan-2-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccco1
InChIInChI=1S/C16H12N2O3S/c17-14(19)11-9-13(10-5-2-1-3-6-10)22-16(11)18-15(20)12-7-4-8-21-12/h1-9H,(H2,17,19)(H,18,20)
InChIKeyHGMKFNNGZKCOSY-UHFFFAOYSA-N
XLogP3.36
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5-phenylthiophen-2-yl)furan-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-phenylthiophen-2-yl)furan-2-carboxamide (CID 703986) is N-(3-carbamoyl-5-phenylthiophen-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-phenylthiophen-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-phenylthiophen-2-yl)furan-2-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccco1.
What is the InChIKey of N-(3-carbamoyl-5-phenylthiophen-2-yl)furan-2-carboxamide?
The InChIKey is HGMKFNNGZKCOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c17-14(19)11-9-13(10-5-2-1-3-6-10)22-16(11)18-15(20)12-7-4-8-21-12/h1-9H,(H2,17,19)(H,18,20).
What are the key properties of N-(3-carbamoyl-5-phenylthiophen-2-yl)furan-2-carboxamide?
N-(3-carbamoyl-5-phenylthiophen-2-yl)furan-2-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-phenylthiophen-2-yl)furan-2-carboxamide is sourced from PubChem (CID 703986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).