2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide

C19H17ClN4O2S — CID 86958124

IUPAC2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide
SMILESNC(=O)CSc1ccccc1C(=O)Nc1nccn1Cc1ccccc1Cl
InChIInChI=1S/C19H17ClN4O2S/c20-15-7-3-1-5-13(15)11-24-10-9-22-19(24)23-18(26)14-6-2-4-8-16(14)27-12-17(21)25/h1-10H,11-12H2,(H2,21,25)(H,22,23,26)
InChIKeyOAYAZXXEPPHDNJ-UHFFFAOYSA-N
MW400.89 g/mol
LogP3.41
Rot. Bonds7

About 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide

2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide (PubChem CID 86958124) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide
PubChem CID86958124
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC Name2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide
SMILESNC(=O)CSc1ccccc1C(=O)Nc1nccn1Cc1ccccc1Cl
InChIInChI=1S/C19H17ClN4O2S/c20-15-7-3-1-5-13(15)11-24-10-9-22-19(24)23-18(26)14-6-2-4-8-16(14)27-12-17(21)25/h1-10H,11-12H2,(H2,21,25)(H,22,23,26)
InChIKeyOAYAZXXEPPHDNJ-UHFFFAOYSA-N
XLogP3.41
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide
CID 71931046
3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide
CID 119789659
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015849
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(3-hydroxyphenyl)acetamide
CID 56791413
2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide
CID 55559844
2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide
CID 51248279
2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 17461144
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 55443291
2-(2-amino-2-oxoethyl)sulfanyl-N-cyclopentylbenzamide
CID 37345038
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 167882561
1-[(2-chlorophenyl)methyl]imidazol-2-amine
CID 54593550
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane
CID 144709386

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide (CID 86958124) is 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide is NC(=O)CSc1ccccc1C(=O)Nc1nccn1Cc1ccccc1Cl.
What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide?
The InChIKey is OAYAZXXEPPHDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c20-15-7-3-1-5-13(15)11-24-10-9-22-19(24)23-18(26)14-6-2-4-8-16(14)27-12-17(21)25/h1-10H,11-12H2,(H2,21,25)(H,22,23,26).
What are the key properties of 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide?
2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide has a molecular weight of 400.89 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide is sourced from PubChem (CID 86958124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).