4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide

C21H21N3O2S — CID 126448585

IUPAC4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](c3nccn3C)C3CC3)cc2)s1
InChIInChI=1S/C21H21N3O2S/c1-13(25)17-9-10-18(27-17)14-3-7-16(8-4-14)21(26)23-19(15-5-6-15)20-22-11-12-24(20)2/h3-4,7-12,15,19H,5-6H2,1-2H3,(H,23,26)/t19-/m1/s1
InChIKeyYICNULOWMTWYDN-LJQANCHMSA-N
MW379.49 g/mol
LogP4.23
Rot. Bonds6

About 4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide

4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 126448585) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID126448585
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](c3nccn3C)C3CC3)cc2)s1
InChIInChI=1S/C21H21N3O2S/c1-13(25)17-9-10-18(27-17)14-3-7-16(8-4-14)21(26)23-19(15-5-6-15)20-22-11-12-24(20)2/h3-4,7-12,15,19H,5-6H2,1-2H3,(H,23,26)/t19-/m1/s1
InChIKeyYICNULOWMTWYDN-LJQANCHMSA-N
XLogP4.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-[4-(dimethylamino)pyrimidin-2-yl]benzamide
CID 122570319
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 124852775
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 125436853
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122572248
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 128988058
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125445823
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92634517
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91794163
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125440909
1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide
CID 154736963

Frequently Asked Questions

What is the IUPAC name of 4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide (CID 126448585) is 4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide is CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](c3nccn3C)C3CC3)cc2)s1.
What is the InChIKey of 4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is YICNULOWMTWYDN-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-13(25)17-9-10-18(27-17)14-3-7-16(8-4-14)21(26)23-19(15-5-6-15)20-22-11-12-24(20)2/h3-4,7-12,15,19H,5-6H2,1-2H3,(H,23,26)/t19-/m1/s1.
What are the key properties of 4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide?
4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 379.49 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 126448585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).