5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide

C14H13N3OS — CID 79613618

IUPAC5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide
SMILESCc1ccc(C#N)cc1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C14H13N3OS/c1-9-2-3-10(6-15)4-13(9)17-7-12-5-11(8-19-12)14(16)18/h2-5,8,17H,7H2,1H3,(H2,16,18)
InChIKeySVYRVPMEVCFOJY-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.64
Rot. Bonds4

About 5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide

5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide (PubChem CID 79613618) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide
PubChem CID79613618
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide
SMILESCc1ccc(C#N)cc1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C14H13N3OS/c1-9-2-3-10(6-15)4-13(9)17-7-12-5-11(8-19-12)14(16)18/h2-5,8,17H,7H2,1H3,(H2,16,18)
InChIKeySVYRVPMEVCFOJY-UHFFFAOYSA-N
XLogP2.64
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide
CID 79605741
5-[(4-bromo-2-cyanoanilino)methyl]thiophene-3-carboxamide
CID 82707727
5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611398
4-[(4-carbamoylthiophen-2-yl)methylamino]-3-methylbenzoic acid
CID 79614700
2-[(5-cyano-2-methylanilino)methyl]benzamide
CID 62103575
3-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-4-methylbenzamide
CID 79611702
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
5-[(2,4-dimethyl-5-nitroanilino)methyl]thiophene-3-carboxamide
CID 104757446
3-[(4-cyanothiophen-2-yl)methylamino]-4-methylbenzenesulfonamide
CID 79613516
5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611958
5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide
CID 79614007
5-[(2-cyano-3-methylanilino)methyl]thiophene-3-carboxylic acid
CID 107803006

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide (CID 79613618) is 5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide is Cc1ccc(C#N)cc1NCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide?
The InChIKey is SVYRVPMEVCFOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-2-3-10(6-15)4-13(9)17-7-12-5-11(8-19-12)14(16)18/h2-5,8,17H,7H2,1H3,(H2,16,18).
What are the key properties of 5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide?
5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79613618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).