3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide

C14H13ClN2O3S — CID 162685439

IUPAC3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sccc1NC(=O)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H13ClN2O3S/c1-16-14(20)13-10(4-5-21-13)17-12(19)7-8-2-3-11(18)9(15)6-8/h2-6,18H,7H2,1H3,(H,16,20)(H,17,19)
InChIKeyRBAAGLGQPDLGFB-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.65
Rot. Bonds4

About 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide

3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide (PubChem CID 162685439) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide
PubChem CID162685439
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sccc1NC(=O)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H13ClN2O3S/c1-16-14(20)13-10(4-5-21-13)17-12(19)7-8-2-3-11(18)9(15)6-8/h2-6,18H,7H2,1H3,(H,16,20)(H,17,19)
InChIKeyRBAAGLGQPDLGFB-UHFFFAOYSA-N
XLogP2.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide (CID 162685439) is 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide is CNC(=O)c1sccc1NC(=O)Cc1ccc(O)c(Cl)c1.
What is the InChIKey of 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide?
The InChIKey is RBAAGLGQPDLGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-16-14(20)13-10(4-5-21-13)17-12(19)7-8-2-3-11(18)9(15)6-8/h2-6,18H,7H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide?
3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide has a molecular weight of 324.79 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 162685439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).