4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide

C16H28N2OS — CID 61106447

IUPAC4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(CCC(C)C)CCC(C)C)cc1N
InChIInChI=1S/C16H28N2OS/c1-11(2)6-8-18(9-7-12(3)4)16(19)15-10-14(17)13(5)20-15/h10-12H,6-9,17H2,1-5H3
InChIKeyJFZGLIBIGUTAOU-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.17
Rot. Bonds7

About 4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide

4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide (PubChem CID 61106447) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide
PubChem CID61106447
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(CCC(C)C)CCC(C)C)cc1N
InChIInChI=1S/C16H28N2OS/c1-11(2)6-8-18(9-7-12(3)4)16(19)15-10-14(17)13(5)20-15/h10-12H,6-9,17H2,1-5H3
InChIKeyJFZGLIBIGUTAOU-UHFFFAOYSA-N
XLogP4.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 61109174
4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide
CID 61108711
4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide
CID 79384871
3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide
CID 60939470
4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide
CID 64929974
methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 61108861
4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride
CID 119672598
4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61101958
3-amino-N,N-bis(3-methylbutyl)benzamide
CID 60939254
4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 61114386
4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 61095288

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide (CID 61106447) is 4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide is Cc1sc(C(=O)N(CCC(C)C)CCC(C)C)cc1N.
What is the InChIKey of 4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide?
The InChIKey is JFZGLIBIGUTAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-11(2)6-8-18(9-7-12(3)4)16(19)15-10-14(17)13(5)20-15/h10-12H,6-9,17H2,1-5H3.
What are the key properties of 4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide?
4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide has a molecular weight of 296.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 61106447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).