2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide

C17H18N2O2S — CID 95979886

IUPAC2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide
SMILESCc1ccccc1[C@@H](NC(=O)c1cc(C(N)=O)cs1)C1CC1
InChIInChI=1S/C17H18N2O2S/c1-10-4-2-3-5-13(10)15(11-6-7-11)19-17(21)14-8-12(9-22-14)16(18)20/h2-5,8-9,11,15H,6-7H2,1H3,(H2,18,20)(H,19,21)/t15-/m0/s1
InChIKeyKSUOIUUXYWUMEB-HNNXBMFYSA-N
MW314.41 g/mol
LogP3.04
Rot. Bonds5

About 2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide

2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide (PubChem CID 95979886) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide
PubChem CID95979886
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide
SMILESCc1ccccc1[C@@H](NC(=O)c1cc(C(N)=O)cs1)C1CC1
InChIInChI=1S/C17H18N2O2S/c1-10-4-2-3-5-13(10)15(11-6-7-11)19-17(21)14-8-12(9-22-14)16(18)20/h2-5,8-9,11,15H,6-7H2,1H3,(H2,18,20)(H,19,21)/t15-/m0/s1
InChIKeyKSUOIUUXYWUMEB-HNNXBMFYSA-N
XLogP3.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide (CID 95979886) is 2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide is Cc1ccccc1[C@@H](NC(=O)c1cc(C(N)=O)cs1)C1CC1.
What is the InChIKey of 2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide?
The InChIKey is KSUOIUUXYWUMEB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-10-4-2-3-5-13(10)15(11-6-7-11)19-17(21)14-8-12(9-22-14)16(18)20/h2-5,8-9,11,15H,6-7H2,1H3,(H2,18,20)(H,19,21)/t15-/m0/s1.
What are the key properties of 2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide?
2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 95979886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).