2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide

C16H20N2O2S — CID 63273246

IUPAC2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide
SMILESCCCNC(=O)c1c(N)sc(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C16H20N2O2S/c1-4-9-18-16(19)13-10(2)14(21-15(13)17)11-5-7-12(20-3)8-6-11/h5-8H,4,9,17H2,1-3H3,(H,18,19)
InChIKeyYFBOTALSZUZVOK-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.45
Rot. Bonds5

About 2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide

2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide (PubChem CID 63273246) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide
PubChem CID63273246
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide
SMILESCCCNC(=O)c1c(N)sc(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C16H20N2O2S/c1-4-9-18-16(19)13-10(2)14(21-15(13)17)11-5-7-12(20-3)8-6-11/h5-8H,4,9,17H2,1-3H3,(H,18,19)
InChIKeyYFBOTALSZUZVOK-UHFFFAOYSA-N
XLogP3.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(4-methoxyphenyl)-N-propyl-1,2-thiazole-5-carboxamide
CID 52906119
2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide
CID 114830947
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
ethyl 5-amino-4-[(4-methoxyphenyl)carbamoyl]-3-methylthiophene-2-carboxylate
CID 4771964
ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 63398786
4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide
CID 52906123
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824857
2-amino-4-methyl-N-[C-methyl-N-[3-(methylamino)propyl]carbonimidoyl]-5-phenylthiophene-3-carboxamide
CID 123528404
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 16944943
2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide
CID 82056632

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide?
The IUPAC name of 2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide (CID 63273246) is 2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide is CCCNC(=O)c1c(N)sc(-c2ccc(OC)cc2)c1C.
What is the InChIKey of 2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide?
The InChIKey is YFBOTALSZUZVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-9-18-16(19)13-10(2)14(21-15(13)17)11-5-7-12(20-3)8-6-11/h5-8H,4,9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide?
2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide is sourced from PubChem (CID 63273246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).