4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide

C15H19N3OS — CID 115375794

IUPAC4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)c(C)s2)cc1N(C)C
InChIInChI=1S/C15H19N3OS/c1-9-5-6-11(7-13(9)18(3)4)17-15(19)14-8-12(16)10(2)20-14/h5-8H,16H2,1-4H3,(H,17,19)
InChIKeyDGWNSXCSASJPMV-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.27
Rot. Bonds3

About 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide

4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide (PubChem CID 115375794) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide
PubChem CID115375794
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)c(C)s2)cc1N(C)C
InChIInChI=1S/C15H19N3OS/c1-9-5-6-11(7-13(9)18(3)4)17-15(19)14-8-12(16)10(2)20-14/h5-8H,16H2,1-4H3,(H,17,19)
InChIKeyDGWNSXCSASJPMV-UHFFFAOYSA-N
XLogP3.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 63333055
4-amino-N-(3-chloro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61091195
4-amino-N-(3-fluoro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61090591
4-amino-5-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 61089790
2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115375793
N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65237624
4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide
CID 61118215
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide
CID 115375820
N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057931
4-amino-N-(4-chloro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61093919
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide
CID 115375795
4-amino-N-(6-methoxy-3-pyridinyl)-5-methylthiophene-2-carboxamide
CID 61091487

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide (CID 115375794) is 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc(N)c(C)s2)cc1N(C)C.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide?
The InChIKey is DGWNSXCSASJPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9-5-6-11(7-13(9)18(3)4)17-15(19)14-8-12(16)10(2)20-14/h5-8H,16H2,1-4H3,(H,17,19).
What are the key properties of 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide?
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 115375794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).