4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide

C16H17N3O2S — CID 97251077

IUPAC4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)N[C@@H](c2nccc(C)n2)C2CC2)c1
InChIInChI=1S/C16H17N3O2S/c1-9-5-6-17-15(18-9)14(11-3-4-11)19-16(21)13-7-12(8-22-13)10(2)20/h5-8,11,14H,3-4H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyXSVQDIVNNMJMLI-CQSZACIVSA-N
MW315.40 g/mol
LogP2.93
Rot. Bonds5

About 4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide

4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 97251077) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
PubChem CID97251077
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)N[C@@H](c2nccc(C)n2)C2CC2)c1
InChIInChI=1S/C16H17N3O2S/c1-9-5-6-17-15(18-9)14(11-3-4-11)19-16(21)13-7-12(8-22-13)10(2)20/h5-8,11,14H,3-4H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyXSVQDIVNNMJMLI-CQSZACIVSA-N
XLogP2.93
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide (CID 97251077) is 4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide is CC(=O)c1csc(C(=O)N[C@@H](c2nccc(C)n2)C2CC2)c1.
What is the InChIKey of 4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is XSVQDIVNNMJMLI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-9-5-6-17-15(18-9)14(11-3-4-11)19-16(21)13-7-12(8-22-13)10(2)20/h5-8,11,14H,3-4H2,1-2H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide?
4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 97251077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).