N-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide

C17H13N3O2S — CID 75385267

IUPACN-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide
SMILESN#Cc1csc(CNc2cccc(NC(=O)c3ccoc3)c2)c1
InChIInChI=1S/C17H13N3O2S/c18-8-12-6-16(23-11-12)9-19-14-2-1-3-15(7-14)20-17(21)13-4-5-22-10-13/h1-7,10-11,19H,9H2,(H,20,21)
InChIKeyCTUMIMNLCVLPGM-UHFFFAOYSA-N
MW323.38 g/mol
LogP4.08
Rot. Bonds5

About N-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide

N-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide (PubChem CID 75385267) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide
PubChem CID75385267
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC NameN-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide
SMILESN#Cc1csc(CNc2cccc(NC(=O)c3ccoc3)c2)c1
InChIInChI=1S/C17H13N3O2S/c18-8-12-6-16(23-11-12)9-19-14-2-1-3-15(7-14)20-17(21)13-4-5-22-10-13/h1-7,10-11,19H,9H2,(H,20,21)
InChIKeyCTUMIMNLCVLPGM-UHFFFAOYSA-N
XLogP4.08
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-cyanothiophen-2-yl)methylamino]benzoic acid
CID 79614253
N-(4-cyanophenyl)furan-3-carboxamide
CID 24701301
3-[(4-cyanothiophen-2-yl)methylamino]benzenesulfonamide
CID 79606119
3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79611395
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
4-[(4-cyanothiophen-2-yl)methylamino]-N-cyclopropylbenzamide
CID 79611124
propan-2-yl 4-[(4-cyanothiophen-2-yl)methylamino]benzoate
CID 79610904
5-[(pyridin-3-ylamino)methyl]thiophene-3-carbonitrile
CID 79606035
N-(3-chloro-4-cyanophenyl)furan-3-carboxamide
CID 27033866
ethyl 4-[(4-cyanothiophen-2-yl)methylamino]benzoate
CID 79613906
2-chloro-4-[(4-cyanothiophen-2-yl)methylamino]benzamide
CID 79613768

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide?
The IUPAC name of N-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide (CID 75385267) is N-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide is N#Cc1csc(CNc2cccc(NC(=O)c3ccoc3)c2)c1.
What is the InChIKey of N-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide?
The InChIKey is CTUMIMNLCVLPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c18-8-12-6-16(23-11-12)9-19-14-2-1-3-15(7-14)20-17(21)13-4-5-22-10-13/h1-7,10-11,19H,9H2,(H,20,21).
What are the key properties of N-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide?
N-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-cyanothiophen-2-yl)methylamino]phenyl]furan-3-carboxamide is sourced from PubChem (CID 75385267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).