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

C14H16N2OS — CID 61104453

IUPAC4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(N)c(C)s2)c1
InChIInChI=1S/C14H16N2OS/c1-9-4-3-5-11(6-9)8-16-14(17)13-7-12(15)10(2)18-13/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyQVIDRZCRGSSYCL-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.88
Rot. Bonds3

About 4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide

4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 61104453) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
PubChem CID61104453
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(N)c(C)s2)c1
InChIInChI=1S/C14H16N2OS/c1-9-4-3-5-11(6-9)8-16-14(17)13-7-12(15)10(2)18-13/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyQVIDRZCRGSSYCL-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 106899155
methyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate
CID 61113252
4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61105975
4-amino-N-[2-(3-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61113254
N-[[3-(chloromethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 113272815
3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 112575105
(3-methylphenyl)methylurea
CID 60776531
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 82793892
4-amino-1-ethyl-N-[(3-methylphenyl)methyl]pyrrole-2-carboxamide
CID 54944283
4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide
CID 61111226
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide (CID 61104453) is 4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide is Cc1cccc(CNC(=O)c2cc(N)c(C)s2)c1.
What is the InChIKey of 4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is QVIDRZCRGSSYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-4-3-5-11(6-9)8-16-14(17)13-7-12(15)10(2)18-13/h3-7H,8,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide?
4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 61104453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).