N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide

C16H19NOS — CID 7299999

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)Cc1cccs1
InChIInChI=1S/C16H19NOS/c1-3-12(2)14-8-4-5-9-15(14)17-16(18)11-13-7-6-10-19-13/h4-10,12H,3,11H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyNEYAKJIVYVVFRH-LBPRGKRZSA-N
MW273.40 g/mol
LogP4.44
Rot. Bonds5

About N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide

N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 7299999) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide
PubChem CID7299999
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)Cc1cccs1
InChIInChI=1S/C16H19NOS/c1-3-12(2)14-8-4-5-9-15(14)17-16(18)11-13-7-6-10-19-13/h4-10,12H,3,11H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyNEYAKJIVYVVFRH-LBPRGKRZSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N-(2-ethylsulfanylphenyl)-2-thiophen-2-ylacetamide
CID 94624110
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 1122525
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-(2-butan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3725070
N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429
N-(2-butan-2-ylphenyl)-2-isocyanoacetamide
CID 108814877
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
CID 31970330
N-[2-[(2R)-butan-2-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2670812
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(thiophen-2-ylmethyl)azanium
CID 8965607

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide (CID 7299999) is N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide is CC[C@H](C)c1ccccc1NC(=O)Cc1cccs1.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is NEYAKJIVYVVFRH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19NOS/c1-3-12(2)14-8-4-5-9-15(14)17-16(18)11-13-7-6-10-19-13/h4-10,12H,3,11H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide?
N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 273.40 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 7299999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).