3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide

C18H15ClN2O2S — CID 15988646

IUPAC3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc(-c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C18H15ClN2O2S/c1-23-15-5-3-2-4-14(15)21-18(22)17-13(20)10-16(24-17)11-6-8-12(19)9-7-11/h2-10H,20H2,1H3,(H,21,22)
InChIKeyZAOOAZCUUUTZAZ-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.91
Rot. Bonds4

About 3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide

3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 15988646) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide
PubChem CID15988646
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc(-c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C18H15ClN2O2S/c1-23-15-5-3-2-4-14(15)21-18(22)17-13(20)10-16(24-17)11-6-8-12(19)9-7-11/h2-10H,20H2,1H3,(H,21,22)
InChIKeyZAOOAZCUUUTZAZ-UHFFFAOYSA-N
XLogP4.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide (CID 15988646) is 3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide is COc1ccccc1NC(=O)c1sc(-c2ccc(Cl)cc2)cc1N.
What is the InChIKey of 3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is ZAOOAZCUUUTZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-23-15-5-3-2-4-14(15)21-18(22)17-13(20)10-16(24-17)11-6-8-12(19)9-7-11/h2-10H,20H2,1H3,(H,21,22).
What are the key properties of 3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide?
3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 15988646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).