4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide

C14H16N2O2S — CID 61091924

IUPAC4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(N)c(C)s1
InChIInChI=1S/C14H16N2O2S/c1-9-11(15)7-13(19-9)14(17)16-8-10-5-3-4-6-12(10)18-2/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyKTIMIYHXDPOTCW-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.58
Rot. Bonds4

About 4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide

4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide (PubChem CID 61091924) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
PubChem CID61091924
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(N)c(C)s1
InChIInChI=1S/C14H16N2O2S/c1-9-11(15)7-13(19-9)14(17)16-8-10-5-3-4-6-12(10)18-2/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyKTIMIYHXDPOTCW-UHFFFAOYSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61113758
N-[(2-methoxyphenyl)methyl]-1-oxoisothiochromene-3-carboxamide
CID 17015294
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
methyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate
CID 61113252
4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61104453
2-(diethylamino)-N-[(2-methoxyphenyl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55864501
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350
4-methoxy-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzamide
CID 110761590
2-amino-6-chloro-N-[(2-methoxyphenyl)methyl]benzamide
CID 63660526
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide (CID 61091924) is 4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide is COc1ccccc1CNC(=O)c1cc(N)c(C)s1.
What is the InChIKey of 4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is KTIMIYHXDPOTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-11(15)7-13(19-9)14(17)16-8-10-5-3-4-6-12(10)18-2/h3-7H,8,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 61091924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).