N-(3-chloro-4-hydroxyphenyl)-N-thiophen-3-ylacetamide

C12H10ClNO2S — CID 70449642

IUPACN-(3-chloro-4-hydroxyphenyl)-N-thiophen-3-ylacetamide
SMILESCC(=O)N(c1ccsc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H10ClNO2S/c1-8(15)14(10-4-5-17-7-10)9-2-3-12(16)11(13)6-9/h2-7,16H,1H3
InChIKeyKASGMHCTPRETTJ-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.79
Rot. Bonds2

About N-(3-chloro-4-hydroxyphenyl)-N-thiophen-3-ylacetamide

N-(3-chloro-4-hydroxyphenyl)-N-thiophen-3-ylacetamide (PubChem CID 70449642) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-N-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-N-thiophen-3-ylacetamide
PubChem CID70449642
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-N-thiophen-3-ylacetamide
SMILESCC(=O)N(c1ccsc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H10ClNO2S/c1-8(15)14(10-4-5-17-7-10)9-2-3-12(16)11(13)6-9/h2-7,16H,1H3
InChIKeyKASGMHCTPRETTJ-UHFFFAOYSA-N
XLogP3.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-N-thiophen-3-ylacetamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-N-thiophen-3-ylacetamide (CID 70449642) is N-(3-chloro-4-hydroxyphenyl)-N-thiophen-3-ylacetamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-N-thiophen-3-ylacetamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-N-thiophen-3-ylacetamide is CC(=O)N(c1ccsc1)c1ccc(O)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-N-thiophen-3-ylacetamide?
The InChIKey is KASGMHCTPRETTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-8(15)14(10-4-5-17-7-10)9-2-3-12(16)11(13)6-9/h2-7,16H,1H3.
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-N-thiophen-3-ylacetamide?
N-(3-chloro-4-hydroxyphenyl)-N-thiophen-3-ylacetamide has a molecular weight of 267.74 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-N-thiophen-3-ylacetamide is sourced from PubChem (CID 70449642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).