2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide

C16H20N2O3S — CID 71009749

IUPAC2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide
SMILESCOc1ccc(-c2csc(N)c2C(=O)NC(C)C)cc1OC
InChIInChI=1S/C16H20N2O3S/c1-9(2)18-16(19)14-11(8-22-15(14)17)10-5-6-12(20-3)13(7-10)21-4/h5-9H,17H2,1-4H3,(H,18,19)
InChIKeyUOUVEJUQGQJNPM-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.15
Rot. Bonds5

About 2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide

2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide (PubChem CID 71009749) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide
PubChem CID71009749
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide
SMILESCOc1ccc(-c2csc(N)c2C(=O)NC(C)C)cc1OC
InChIInChI=1S/C16H20N2O3S/c1-9(2)18-16(19)14-11(8-22-15(14)17)10-5-6-12(20-3)13(7-10)21-4/h5-9H,17H2,1-4H3,(H,18,19)
InChIKeyUOUVEJUQGQJNPM-UHFFFAOYSA-N
XLogP3.15
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CID 874645
(2-fluorophenyl)methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CID 71009795
ethyl 4-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 1038260
2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide
CID 43367236
ethyl 4-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyridine-2-carbonyl)amino]thiophene-3-carboxylate
CID 19224458
ethyl 4-(3,4-dimethoxyphenyl)-2-(methylcarbamothioylamino)thiophene-3-carboxylate
CID 8654567
ethyl 4-(3,4-dimethoxyphenyl)-2-pyrrol-1-ylthiophene-3-carboxylate
CID 23792522
ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 727598
ethyl 2-[(3,4-dimethoxybenzoyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 28693481
ethyl 4-(3,4-dimethoxyphenyl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]thiophene-3-carboxylate
CID 19221565
trans-(1R,2R)-2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 28698161
ethyl 2-[2-(4-tert-butylphenoxy)propanoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CID 3611949

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide (CID 71009749) is 2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide is COc1ccc(-c2csc(N)c2C(=O)NC(C)C)cc1OC.
What is the InChIKey of 2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide?
The InChIKey is UOUVEJUQGQJNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-9(2)18-16(19)14-11(8-22-15(14)17)10-5-6-12(20-3)13(7-10)21-4/h5-9H,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide?
2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 71009749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).