N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide

C13H21NOS — CID 102908401

IUPACN-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
SMILESCC(C)C(CNC(=O)c1cccs1)C(C)C
InChIInChI=1S/C13H21NOS/c1-9(2)11(10(3)4)8-14-13(15)12-6-5-7-16-12/h5-7,9-11H,8H2,1-4H3,(H,14,15)
InChIKeyQVJTXEXQJKOXDC-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.41
Rot. Bonds5

About N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide

N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide (PubChem CID 102908401) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
PubChem CID102908401
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
SMILESCC(C)C(CNC(=O)c1cccs1)C(C)C
InChIInChI=1S/C13H21NOS/c1-9(2)11(10(3)4)8-14-13(15)12-6-5-7-16-12/h5-7,9-11H,8H2,1-4H3,(H,14,15)
InChIKeyQVJTXEXQJKOXDC-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate
CID 22661369
N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide
CID 107156721
2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 62883489
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080
N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
CID 108573968
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
CID 99593692
N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide
CID 2211824
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide
CID 6499833
N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide
CID 157304245
N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103742453
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
CID 95740854

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide (CID 102908401) is N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide is CC(C)C(CNC(=O)c1cccs1)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide?
The InChIKey is QVJTXEXQJKOXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9(2)11(10(3)4)8-14-13(15)12-6-5-7-16-12/h5-7,9-11H,8H2,1-4H3,(H,14,15).
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide?
N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide has a molecular weight of 239.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 102908401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).