N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C18H13N3O3S — CID 94049859

IUPACN-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2ccc(NC(=O)c3ccco3)s2)c1
InChIInChI=1S/C18H13N3O3S/c19-10-12-3-1-4-13(9-12)11-20-18(23)15-6-7-16(25-15)21-17(22)14-5-2-8-24-14/h1-9H,11H2,(H,20,23)(H,21,22)
InChIKeyZVPHXSAEHSVZFR-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.40
Rot. Bonds5

About N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 94049859) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID94049859
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC NameN-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2ccc(NC(=O)c3ccco3)s2)c1
InChIInChI=1S/C18H13N3O3S/c19-10-12-3-1-4-13(9-12)11-20-18(23)15-6-7-16(25-15)21-17(22)14-5-2-8-24-14/h1-9H,11H2,(H,20,23)(H,21,22)
InChIKeyZVPHXSAEHSVZFR-UHFFFAOYSA-N
XLogP3.40
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60553481
N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31309961
N-[5-[(2-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302984
N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60556284
N-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650
1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 47177058
N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46593393
N-[5-[(2-hydroxycyclopentyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 111471137
N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55516916
N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55204470
N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide
CID 47161726
N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 31303145

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 94049859) is N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is N#Cc1cccc(CNC(=O)c2ccc(NC(=O)c3ccco3)s2)c1.
What is the InChIKey of N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is ZVPHXSAEHSVZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c19-10-12-3-1-4-13(9-12)11-20-18(23)15-6-7-16(25-15)21-17(22)14-5-2-8-24-14/h1-9H,11H2,(H,20,23)(H,21,22).
What are the key properties of N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 94049859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).