3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide

C14H17N3OS — CID 103432151

IUPAC3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCc2cccc(C)c2)cc1N
InChIInChI=1S/C14H17N3OS/c1-9-4-3-5-10(6-9)8-17-12-7-11(15)13(19-12)14(18)16-2/h3-7,17H,8,15H2,1-2H3,(H,16,18)
InChIKeyUQXXYPLTSCLUMR-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.61
Rot. Bonds4

About 3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide

3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide (PubChem CID 103432151) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide
PubChem CID103432151
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCc2cccc(C)c2)cc1N
InChIInChI=1S/C14H17N3OS/c1-9-4-3-5-10(6-9)8-17-12-7-11(15)13(19-12)14(18)16-2/h3-7,17H,8,15H2,1-2H3,(H,16,18)
InChIKeyUQXXYPLTSCLUMR-UHFFFAOYSA-N
XLogP2.61
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507791
[3-amino-5-[2-(3-methylphenyl)ethylamino]thiophen-2-yl]-cyclopropylmethanone
CID 103525865
4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61104453
1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone
CID 103432141
5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 34166719
ethyl 5-acetyl-4-methyl-2-[(3-methylphenyl)methylamino]thiophene-3-carboxylate
CID 110827390
3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide
CID 106901131
(3-methylphenyl)methylurea
CID 60776531
N-methyl-2-[(3-methylphenyl)methylamino]acetamide
CID 43214398
3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide
CID 103509920
[4-[(3-methylphenyl)methylamino]phenyl]urea
CID 43744878
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide (CID 103432151) is 3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide is CNC(=O)c1sc(NCc2cccc(C)c2)cc1N.
What is the InChIKey of 3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide?
The InChIKey is UQXXYPLTSCLUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-4-3-5-10(6-9)8-17-12-7-11(15)13(19-12)14(18)16-2/h3-7,17H,8,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide?
3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide is sourced from PubChem (CID 103432151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).