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

C13H14N2O3S — CID 1244061

IUPACN-(3-carbamoyl-5-propylthiophen-2-yl)furan-2-carboxamide
SMILESCCCc1cc(C(N)=O)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C13H14N2O3S/c1-2-4-8-7-9(11(14)16)13(19-8)15-12(17)10-5-3-6-18-10/h3,5-7H,2,4H2,1H3,(H2,14,16)(H,15,17)
InChIKeyVHUHZIJTIHCTRN-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.64
Rot. Bonds5

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

N-(3-carbamoyl-5-propylthiophen-2-yl)furan-2-carboxamide (PubChem CID 1244061) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(3-carbamoyl-5-propylthiophen-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-propylthiophen-2-yl)furan-2-carboxamide
PubChem CID1244061
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-(3-carbamoyl-5-propylthiophen-2-yl)furan-2-carboxamide
SMILESCCCc1cc(C(N)=O)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C13H14N2O3S/c1-2-4-8-7-9(11(14)16)13(19-8)15-12(17)10-5-3-6-18-10/h3,5-7H,2,4H2,1H3,(H2,14,16)(H,15,17)
InChIKeyVHUHZIJTIHCTRN-UHFFFAOYSA-N
XLogP2.64
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.64
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-propylthiophen-2-yl)furan-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-propylthiophen-2-yl)furan-2-carboxamide (CID 1244061) is N-(3-carbamoyl-5-propylthiophen-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-propylthiophen-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-propylthiophen-2-yl)furan-2-carboxamide is CCCc1cc(C(N)=O)c(NC(=O)c2ccco2)s1.
What is the InChIKey of N-(3-carbamoyl-5-propylthiophen-2-yl)furan-2-carboxamide?
The InChIKey is VHUHZIJTIHCTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-2-4-8-7-9(11(14)16)13(19-8)15-12(17)10-5-3-6-18-10/h3,5-7H,2,4H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-(3-carbamoyl-5-propylthiophen-2-yl)furan-2-carboxamide?
N-(3-carbamoyl-5-propylthiophen-2-yl)furan-2-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-propylthiophen-2-yl)furan-2-carboxamide is sourced from PubChem (CID 1244061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).