N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide

C17H21NOS — CID 143246003

IUPACN-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide
SMILESCCC(C)Cc1ccc(C(=O)NCc2ccccc2)s1
InChIInChI=1S/C17H21NOS/c1-3-13(2)11-15-9-10-16(20-15)17(19)18-12-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,18,19)
InChIKeyDTJVONWIMVKSEN-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.27
Rot. Bonds6

About N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide

N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide (PubChem CID 143246003) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide
PubChem CID143246003
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide
SMILESCCC(C)Cc1ccc(C(=O)NCc2ccccc2)s1
InChIInChI=1S/C17H21NOS/c1-3-13(2)11-15-9-10-16(20-15)17(19)18-12-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,18,19)
InChIKeyDTJVONWIMVKSEN-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohepta-1,3,6-trien-1-ylmethyl)-5-(2-methylbutyl)thiophene-2-carboxamide;molecular hydrogen
CID 143625416
4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid
CID 43358625
2-benzyl-5-(2-methylbutyl)thiophene
CID 57041002
5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 47114692
N-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide
CID 55083965
N-benzylthiophene-2-carboxamide
CID 574227
3-[5-(benzylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 76907200
N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 46083104
N-benzyl-2-methylpropanamide;methane
CID 160760567
N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide
CID 114300346
5-[[(2-benzyl-3-methylbutanoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110574
5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide?
The IUPAC name of N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide (CID 143246003) is N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide is CCC(C)Cc1ccc(C(=O)NCc2ccccc2)s1.
What is the InChIKey of N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide?
The InChIKey is DTJVONWIMVKSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-3-13(2)11-15-9-10-16(20-15)17(19)18-12-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide?
N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide has a molecular weight of 287.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 143246003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).