2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide

C17H18ClNO3S — CID 39735841

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C17H18ClNO3S/c1-11(20)12-4-6-15(22-3)13(8-12)9-17(21)19(2)10-14-5-7-16(18)23-14/h4-8H,9-10H2,1-3H3
InChIKeyZTDHFQRWCYKAMW-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.81
Rot. Bonds6

About 2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide

2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide (PubChem CID 39735841) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
PubChem CID39735841
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C17H18ClNO3S/c1-11(20)12-4-6-15(22-3)13(8-12)9-17(21)19(2)10-14-5-7-16(18)23-14/h4-8H,9-10H2,1-3H3
InChIKeyZTDHFQRWCYKAMW-UHFFFAOYSA-N
XLogP3.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 31152699
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072
2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 18189527
2-(5-acetyl-2-methoxyphenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide
CID 86839469
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide
CID 134006092
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide
CID 39735523
2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-(5-acetyl-2-methoxyphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 30867500
4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 9087892
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide (CID 39735841) is 2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide is COc1ccc(C(C)=O)cc1CC(=O)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The InChIKey is ZTDHFQRWCYKAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-11(20)12-4-6-15(22-3)13(8-12)9-17(21)19(2)10-14-5-7-16(18)23-14/h4-8H,9-10H2,1-3H3.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide has a molecular weight of 351.86 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 39735841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).