N-butyl-N,3-dimethylthiophene-2-carboxamide

C11H17NOS — CID 86978133

IUPACN-butyl-N,3-dimethylthiophene-2-carboxamide
SMILESCCCCN(C)C(=O)c1sccc1C
InChIInChI=1S/C11H17NOS/c1-4-5-7-12(3)11(13)10-9(2)6-8-14-10/h6,8H,4-5,7H2,1-3H3
InChIKeyZHNZZMHTIQBRDX-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.93
Rot. Bonds4

About N-butyl-N,3-dimethylthiophene-2-carboxamide

N-butyl-N,3-dimethylthiophene-2-carboxamide (PubChem CID 86978133) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-butyl-N,3-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N,3-dimethylthiophene-2-carboxamide
PubChem CID86978133
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-butyl-N,3-dimethylthiophene-2-carboxamide
SMILESCCCCN(C)C(=O)c1sccc1C
InChIInChI=1S/C11H17NOS/c1-4-5-7-12(3)11(13)10-9(2)6-8-14-10/h6,8H,4-5,7H2,1-3H3
InChIKeyZHNZZMHTIQBRDX-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide
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5-bromo-N-butyl-N,2-dimethylbenzamide
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N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
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N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120
4-[butyl(methyl)carbamoyl]benzoic acid
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N-butyl-N,3-dimethylpyridine-4-carboxamide
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5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid
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N-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,3-dimethylthiophene-2-carboxamide?
The IUPAC name of N-butyl-N,3-dimethylthiophene-2-carboxamide (CID 86978133) is N-butyl-N,3-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-butyl-N,3-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-butyl-N,3-dimethylthiophene-2-carboxamide is CCCCN(C)C(=O)c1sccc1C.
What is the InChIKey of N-butyl-N,3-dimethylthiophene-2-carboxamide?
The InChIKey is ZHNZZMHTIQBRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-4-5-7-12(3)11(13)10-9(2)6-8-14-10/h6,8H,4-5,7H2,1-3H3.
What are the key properties of N-butyl-N,3-dimethylthiophene-2-carboxamide?
N-butyl-N,3-dimethylthiophene-2-carboxamide has a molecular weight of 211.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,3-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 86978133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).