N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide

C14H17NO2S — CID 121023374

IUPACN-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)Cc1csc2ccccc12
InChIInChI=1S/C14H17NO2S/c1-10(15-14(16)8-17-2)7-11-9-18-13-6-4-3-5-12(11)13/h3-6,9-10H,7-8H2,1-2H3,(H,15,16)
InChIKeyRPFSRPQNUJPQAE-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.59
Rot. Bonds5

About N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide

N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide (PubChem CID 121023374) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide
PubChem CID121023374
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC NameN-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)Cc1csc2ccccc12
InChIInChI=1S/C14H17NO2S/c1-10(15-14(16)8-17-2)7-11-9-18-13-6-4-3-5-12(11)13/h3-6,9-10H,7-8H2,1-2H3,(H,15,16)
InChIKeyRPFSRPQNUJPQAE-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide
CID 121023406
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide
CID 146079150
3-(1-benzothiophen-3-yl)-N-cyano-N-ethyl-2-[(2-methoxyacetyl)amino]propanamide
CID 87927162
2-methoxy-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 47062728
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide
CID 119106153
methyl 2-(1-benzothiophen-3-ylmethyl)-3-methylbutanoate
CID 116931459
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
CID 53348431
N-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide
CID 119106138
1-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 119106181
methyl 2-amino-3-(1-benzothiophen-3-yl)propanoate;hydrochloride
CID 68769670
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide
CID 121023395
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide
CID 121023381

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide (CID 121023374) is N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide is COCC(=O)NC(C)Cc1csc2ccccc12.
What is the InChIKey of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide?
The InChIKey is RPFSRPQNUJPQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-10(15-14(16)8-17-2)7-11-9-18-13-6-4-3-5-12(11)13/h3-6,9-10H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide?
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide has a molecular weight of 263.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 121023374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).