2-chloro-N-[5-cyano-4-(4-methoxyphenyl)thiophen-2-yl]acetamide

C14H11ClN2O2S — CID 86047693

IUPAC2-chloro-N-[5-cyano-4-(4-methoxyphenyl)thiophen-2-yl]acetamide
SMILESCOc1ccc(-c2cc(NC(=O)CCl)sc2C#N)cc1
InChIInChI=1S/C14H11ClN2O2S/c1-19-10-4-2-9(3-5-10)11-6-14(17-13(18)7-15)20-12(11)8-16/h2-6H,7H2,1H3,(H,17,18)
InChIKeyREKJVULXJRFDLQ-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.47
Rot. Bonds4

About 2-chloro-N-[5-cyano-4-(4-methoxyphenyl)thiophen-2-yl]acetamide

2-chloro-N-[5-cyano-4-(4-methoxyphenyl)thiophen-2-yl]acetamide (PubChem CID 86047693) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-chloro-N-[5-cyano-4-(4-methoxyphenyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-cyano-4-(4-methoxyphenyl)thiophen-2-yl]acetamide
PubChem CID86047693
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name2-chloro-N-[5-cyano-4-(4-methoxyphenyl)thiophen-2-yl]acetamide
SMILESCOc1ccc(-c2cc(NC(=O)CCl)sc2C#N)cc1
InChIInChI=1S/C14H11ClN2O2S/c1-19-10-4-2-9(3-5-10)11-6-14(17-13(18)7-15)20-12(11)8-16/h2-6H,7H2,1H3,(H,17,18)
InChIKeyREKJVULXJRFDLQ-UHFFFAOYSA-N
XLogP3.47
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4769785
2-chloro-N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]acetamide
CID 44669186
2-chloro-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-phenyl-2-pyridinyl]acetamide
CID 172645812
2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 13013378
2-chloro-N-[5-cyano-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]acetamide
CID 139836237
2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
CID 43697093
2-chloro-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108729063
2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide
CID 13362983
3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile
CID 82115667
5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 29045288
N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 23880421
N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide
CID 4962456

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-cyano-4-(4-methoxyphenyl)thiophen-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[5-cyano-4-(4-methoxyphenyl)thiophen-2-yl]acetamide (CID 86047693) is 2-chloro-N-[5-cyano-4-(4-methoxyphenyl)thiophen-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-cyano-4-(4-methoxyphenyl)thiophen-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[5-cyano-4-(4-methoxyphenyl)thiophen-2-yl]acetamide is COc1ccc(-c2cc(NC(=O)CCl)sc2C#N)cc1.
What is the InChIKey of 2-chloro-N-[5-cyano-4-(4-methoxyphenyl)thiophen-2-yl]acetamide?
The InChIKey is REKJVULXJRFDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-19-10-4-2-9(3-5-10)11-6-14(17-13(18)7-15)20-12(11)8-16/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-[5-cyano-4-(4-methoxyphenyl)thiophen-2-yl]acetamide?
2-chloro-N-[5-cyano-4-(4-methoxyphenyl)thiophen-2-yl]acetamide has a molecular weight of 306.77 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-cyano-4-(4-methoxyphenyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 86047693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).