N'-[2-(4-chlorophenyl)sulfanylacetyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide

C18H17ClN4O3S — CID 55787522

IUPACN'-[2-(4-chlorophenyl)sulfanylacetyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide
SMILESO=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C18H17ClN4O3S/c19-13-4-6-15(7-5-13)27-11-16(24)21-22-17(25)12-2-1-3-14(10-12)23-9-8-20-18(23)26/h1-7,10H,8-9,11H2,(H,20,26)(H,21,24)(H,22,25)
InChIKeyFQKGQLPJSQJLEV-UHFFFAOYSA-N
MW404.88 g/mol
LogP2.42
Rot. Bonds5

About N'-[2-(4-chlorophenyl)sulfanylacetyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide

N'-[2-(4-chlorophenyl)sulfanylacetyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide (PubChem CID 55787522) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)sulfanylacetyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide
PubChem CID55787522
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide
SMILESO=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C18H17ClN4O3S/c19-13-4-6-15(7-5-13)27-11-16(24)21-22-17(25)12-2-1-3-14(10-12)23-9-8-20-18(23)26/h1-7,10H,8-9,11H2,(H,20,26)(H,21,24)(H,22,25)
InChIKeyFQKGQLPJSQJLEV-UHFFFAOYSA-N
XLogP2.42
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2,3-bis(4-chlorophenyl)butyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 69375843
3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide
CID 2109098
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2,3-dihydro-1-benzofuran-5-carbohydrazide
CID 55578936
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55699288
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9157257
N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide
CID 55702645
4-(4-chlorophenyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 55779261
3,4-difluoro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 110874016
N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 166191023
3-(2-oxoimidazolidin-1-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzamide
CID 51129993
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-hydroxybenzohydrazide
CID 35515360
4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide (CID 55787522) is N'-[2-(4-chlorophenyl)sulfanylacetyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)sulfanylacetyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)sulfanylacetyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide is O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccc(N2CCNC2=O)c1.
What is the InChIKey of N'-[2-(4-chlorophenyl)sulfanylacetyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide?
The InChIKey is FQKGQLPJSQJLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c19-13-4-6-15(7-5-13)27-11-16(24)21-22-17(25)12-2-1-3-14(10-12)23-9-8-20-18(23)26/h1-7,10H,8-9,11H2,(H,20,26)(H,21,24)(H,22,25).
What are the key properties of N'-[2-(4-chlorophenyl)sulfanylacetyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide?
N'-[2-(4-chlorophenyl)sulfanylacetyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide has a molecular weight of 404.88 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)sulfanylacetyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide is sourced from PubChem (CID 55787522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).