2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide

C13H14N2OS — CID 841613

IUPAC2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide
SMILESCc1ccc(-c2csc(N)c2C(N)=O)cc1C
InChIInChI=1S/C13H14N2OS/c1-7-3-4-9(5-8(7)2)10-6-17-13(15)11(10)12(14)16/h3-6H,15H2,1-2H3,(H2,14,16)
InChIKeyKHKAAHCGWUFMLI-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.71
Rot. Bonds2

About 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide

2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide (PubChem CID 841613) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide
PubChem CID841613
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide
SMILESCc1ccc(-c2csc(N)c2C(N)=O)cc1C
InChIInChI=1S/C13H14N2OS/c1-7-3-4-9(5-8(7)2)10-6-17-13(15)11(10)12(14)16/h3-6H,15H2,1-2H3,(H2,14,16)
InChIKeyKHKAAHCGWUFMLI-UHFFFAOYSA-N
XLogP2.71
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-phenylthiophene-3-carboxamide
CID 703965
PD 81723
CID 122028
5'-Amino-(2,3'-bithiophene)-4'-carboxamide
CID 898663
5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 709311
(2-Amino-5-ethylthiophen-3-yl)-phenylmethanone
CID 827127
(2-Amino-4,5-dimethylthiophen-3-yl)(phenyl)methanone
CID 615540
(2-Aminothiophen-3-yl)(phenyl)methanone
CID 644720
2-Amino-5-benzyl-4-methyl-3-thiophenecarboxamide
CID 722048
2-(Acetylamino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxamide
CID 887901
(2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-p-tolyl-methanone
CID 860207
2-(5,6,7,8-Tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxamide
CID 4158664
2-(3,4-Dimethylbenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 5162557

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide?
The IUPAC name of 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide (CID 841613) is 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide is Cc1ccc(-c2csc(N)c2C(N)=O)cc1C.
What is the InChIKey of 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide?
The InChIKey is KHKAAHCGWUFMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-7-3-4-9(5-8(7)2)10-6-17-13(15)11(10)12(14)16/h3-6H,15H2,1-2H3,(H2,14,16).
What are the key properties of 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide?
2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 841613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).