5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide

C14H16N2OS — CID 79605741

IUPAC5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide
SMILESCc1ccc(NCc2cc(C(N)=O)cs2)cc1C
InChIInChI=1S/C14H16N2OS/c1-9-3-4-12(5-10(9)2)16-7-13-6-11(8-18-13)14(15)17/h3-6,8,16H,7H2,1-2H3,(H2,15,17)
InChIKeyBZYSEFKQXSVGRM-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.08
Rot. Bonds4

About 5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide

5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide (PubChem CID 79605741) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide
PubChem CID79605741
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide
SMILESCc1ccc(NCc2cc(C(N)=O)cs2)cc1C
InChIInChI=1S/C14H16N2OS/c1-9-3-4-12(5-10(9)2)16-7-13-6-11(8-18-13)14(15)17/h3-6,8,16H,7H2,1-2H3,(H2,15,17)
InChIKeyBZYSEFKQXSVGRM-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
ethyl 4-[(4-carbamoylthiophen-2-yl)methylamino]benzoate
CID 79610647
methyl 4-[(4-carbamoylthiophen-2-yl)methylamino]benzoate
CID 79613574
5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide
CID 79611666
5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide
CID 79614134
5-[(3-ethylanilino)methyl]thiophene-3-carboxamide
CID 79606559
5-[(3-bromo-4-iodoanilino)methyl]thiophene-3-carboxamide
CID 114261938
5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611398
4-[(4-carbamoylthiophen-2-yl)methylamino]-3-methylbenzoic acid
CID 79614700
5-[(3-bromo-4-nitroanilino)methyl]thiophene-3-carboxamide
CID 82865173
5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide
CID 79611128
5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79613618

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide (CID 79605741) is 5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide is Cc1ccc(NCc2cc(C(N)=O)cs2)cc1C.
What is the InChIKey of 5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide?
The InChIKey is BZYSEFKQXSVGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-3-4-12(5-10(9)2)16-7-13-6-11(8-18-13)14(15)17/h3-6,8,16H,7H2,1-2H3,(H2,15,17).
What are the key properties of 5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide?
5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79605741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).