2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide

C15H13ClN2O2S — CID 95775212

IUPAC2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClN2O2S/c16-10-3-1-2-8(4-10)11-6-12(11)18-15(20)13-5-9(7-21-13)14(17)19/h1-5,7,11-12H,6H2,(H2,17,19)(H,18,20)/t11-,12+/m1/s1
InChIKeyAYLOVFBWKAQALV-NEPJUHHUSA-N
MW320.80 g/mol
LogP2.79
Rot. Bonds4

About 2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide

2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide (PubChem CID 95775212) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide
PubChem CID95775212
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClN2O2S/c16-10-3-1-2-8(4-10)11-6-12(11)18-15(20)13-5-9(7-21-13)14(17)19/h1-5,7,11-12H,6H2,(H2,17,19)(H,18,20)/t11-,12+/m1/s1
InChIKeyAYLOVFBWKAQALV-NEPJUHHUSA-N
XLogP2.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide (CID 95775212) is 2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide is NC(=O)c1csc(C(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)c1.
What is the InChIKey of 2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide?
The InChIKey is AYLOVFBWKAQALV-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c16-10-3-1-2-8(4-10)11-6-12(11)18-15(20)13-5-9(7-21-13)14(17)19/h1-5,7,11-12H,6H2,(H2,17,19)(H,18,20)/t11-,12+/m1/s1.
What are the key properties of 2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide?
2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide has a molecular weight of 320.80 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 95775212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).