N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide

C14H14ClNO3S — CID 18139931

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
SMILESCOc1cc(Cl)c(NC(=O)Cc2cccs2)cc1OC
InChIInChI=1S/C14H14ClNO3S/c1-18-12-7-10(15)11(8-13(12)19-2)16-14(17)6-9-4-3-5-20-9/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeyVNMMEIOPJWXXAG-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.60
Rot. Bonds5

About N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide

N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide (PubChem CID 18139931) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
PubChem CID18139931
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
SMILESCOc1cc(Cl)c(NC(=O)Cc2cccs2)cc1OC
InChIInChI=1S/C14H14ClNO3S/c1-18-12-7-10(15)11(8-13(12)19-2)16-14(17)6-9-4-3-5-20-9/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeyVNMMEIOPJWXXAG-UHFFFAOYSA-N
XLogP3.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 63742917
N-(4-amino-2-chlorophenyl)-2-thiophen-2-ylacetamide
CID 16783810
N-(5-bromo-2-chlorophenyl)-2-thiophen-2-ylacetamide
CID 62908415
[(2S)-1-amino-1-oxopropan-2-yl] 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate
CID 7712053
butyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate
CID 24670708
N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-thiophen-2-ylacetamide
CID 140896289
3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
CID 86897699
N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide
CID 17461303
N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 110668031
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
4-chloro-N-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 56692214
3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
CID 82034683

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide (CID 18139931) is N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide is COc1cc(Cl)c(NC(=O)Cc2cccs2)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide?
The InChIKey is VNMMEIOPJWXXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-18-12-7-10(15)11(8-13(12)19-2)16-14(17)6-9-4-3-5-20-9/h3-5,7-8H,6H2,1-2H3,(H,16,17).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide?
N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide has a molecular weight of 311.79 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 18139931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).