4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide

C16H20N2OS — CID 61095288

IUPAC4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N(Cc2ccccc2)C(C)C)cc1N
InChIInChI=1S/C16H20N2OS/c1-11(2)18(10-13-7-5-4-6-8-13)16(19)15-9-14(17)12(3)20-15/h4-9,11H,10,17H2,1-3H3
InChIKeyVNXWSRJYPDYKLF-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.69
Rot. Bonds4

About 4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide

4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 61095288) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide
PubChem CID61095288
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N(Cc2ccccc2)C(C)C)cc1N
InChIInChI=1S/C16H20N2OS/c1-11(2)18(10-13-7-5-4-6-8-13)16(19)15-9-14(17)12(3)20-15/h4-9,11H,10,17H2,1-3H3
InChIKeyVNXWSRJYPDYKLF-UHFFFAOYSA-N
XLogP3.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide
CID 61114080
methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 61108861
4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 61094456
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391
4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61105975
N-benzyl-N-propan-2-ylacetamide
CID 23534449
4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide
CID 61106447
N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215
4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109048603
N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide
CID 62509539
4-amino-5-methyl-N-[2-(N-methylanilino)ethyl]thiophene-2-carboxamide
CID 61113294
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide (CID 61095288) is 4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide is Cc1sc(C(=O)N(Cc2ccccc2)C(C)C)cc1N.
What is the InChIKey of 4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is VNXWSRJYPDYKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11(2)18(10-13-7-5-4-6-8-13)16(19)15-9-14(17)12(3)20-15/h4-9,11H,10,17H2,1-3H3.
What are the key properties of 4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide?
4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 61095288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).