N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide

C10H15NOS — CID 130006618

IUPACN-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1cc(C)sc1C
InChIInChI=1S/C10H15NOS/c1-6-5-10(8(3)13-6)7(2)11-9(4)12/h5,7H,1-4H3,(H,11,12)/t7-/m0/s1
InChIKeyUBBPYGNKQSOJCB-ZETCQYMHSA-N
MW197.30 g/mol
LogP2.56
Rot. Bonds2

About N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide

N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide (PubChem CID 130006618) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
PubChem CID130006618
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1cc(C)sc1C
InChIInChI=1S/C10H15NOS/c1-6-5-10(8(3)13-6)7(2)11-9(4)12/h5,7H,1-4H3,(H,11,12)/t7-/m0/s1
InChIKeyUBBPYGNKQSOJCB-ZETCQYMHSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(thiophen-2-yl)methyl]acetamide
CID 30617
3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656
3,3-dimethyl-N-(2-thienylmethyl)butanamide
CID 1246126
2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213
N-(4-methylbenzyl)-3-(2-thienyl)acrylamide
CID 897829
(E)-N-benzyl-3-(thiophen-2-yl)acrylamide
CID 2146492
3-methyl-N-(1-phenylethyl)thiophene-2-carboxamide
CID 4030009
2-[(4-methylbenzyl)thio]-N-(thien-2-ylmethyl)acetamide
CID 4229956
N-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide
CID 4878729
2-[(4-fluorobenzyl)thio]-N-(thien-2-ylmethyl)acetamide
CID 5045378
N-(1-phenylpropyl)-2-(2-thienyl)acetamide
CID 6470744
N-benzyl-2-(2-thienyl)acetamide
CID 1547938

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide (CID 130006618) is N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide is CC(=O)N[C@@H](C)c1cc(C)sc1C.
What is the InChIKey of N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide?
The InChIKey is UBBPYGNKQSOJCB-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15NOS/c1-6-5-10(8(3)13-6)7(2)11-9(4)12/h5,7H,1-4H3,(H,11,12)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide?
N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide has a molecular weight of 197.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide is sourced from PubChem (CID 130006618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).