5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide

C15H15ClN2O2S — CID 18145657

IUPAC5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCNC(=O)CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C15H15ClN2O2S/c1-2-17-14(19)9-18-15(20)13-8-7-12(21-13)10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,17,19)(H,18,20)
InChIKeySWMDDUKBZLLIRJ-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.93
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide

5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 18145657) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID18145657
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCNC(=O)CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C15H15ClN2O2S/c1-2-17-14(19)9-18-15(20)13-8-7-12(21-13)10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,17,19)(H,18,20)
InChIKeySWMDDUKBZLLIRJ-UHFFFAOYSA-N
XLogP2.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide (CID 18145657) is 5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide is CCNC(=O)CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is SWMDDUKBZLLIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-2-17-14(19)9-18-15(20)13-8-7-12(21-13)10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide?
5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 322.82 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18145657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).