N-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide

C21H20N4O2S — CID 25475114

IUPACN-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide
SMILESO=C(CSc1nccn1-c1ccccc1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C21H20N4O2S/c26-19(14-28-21-22-11-12-25(21)18-7-2-1-3-8-18)23-17-6-4-5-15(13-17)20(27)24-16-9-10-16/h1-8,11-13,16H,9-10,14H2,(H,23,26)(H,24,27)
InChIKeyCQYLVLTXATUNPQ-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.50
Rot. Bonds7

About N-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide

N-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide (PubChem CID 25475114) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide
PubChem CID25475114
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide
SMILESO=C(CSc1nccn1-c1ccccc1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C21H20N4O2S/c26-19(14-28-21-22-11-12-25(21)18-7-2-1-3-8-18)23-17-6-4-5-15(13-17)20(27)24-16-9-10-16/h1-8,11-13,16H,9-10,14H2,(H,23,26)(H,24,27)
InChIKeyCQYLVLTXATUNPQ-UHFFFAOYSA-N
XLogP3.50
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
CID 27447667
N-(3-chlorophenyl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4061693
3-[2-[2-(3-acetylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(4-methylphenyl)methyl]benzamide
CID 46335268
N-cyclopropyl-3-[[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 46668571
3-[2-[2-(3-acetylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(thiophen-2-ylmethyl)benzamide
CID 50789254
N-cyclopropyl-3-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]benzamide
CID 42348648
N-cyclopropyl-3-[[4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzoyl]amino]benzamide
CID 24610138
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55775744
N-cyclopropyl-3-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 42089123
N-benzyl-4-[2-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082227
2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 5071095
5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide
CID 39908176

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide (CID 25475114) is N-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide is O=C(CSc1nccn1-c1ccccc1)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is CQYLVLTXATUNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c26-19(14-28-21-22-11-12-25(21)18-7-2-1-3-8-18)23-17-6-4-5-15(13-17)20(27)24-16-9-10-16/h1-8,11-13,16H,9-10,14H2,(H,23,26)(H,24,27).
What are the key properties of N-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide?
N-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 392.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 25475114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).