N-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide

C15H15ClN4OS — CID 25372320

IUPACN-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
SMILESCCCn1ccnc1SCC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C15H15ClN4OS/c1-2-6-20-7-5-18-15(20)22-10-14(21)19-12-4-3-11(9-17)13(16)8-12/h3-5,7-8H,2,6,10H2,1H3,(H,19,21)
InChIKeyGMFYBZUXGLEXII-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.55
Rot. Bonds6

About N-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide

N-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide (PubChem CID 25372320) has the molecular formula C15H15ClN4OS and a molecular weight of 334.83 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
PubChem CID25372320
Molecular FormulaC15H15ClN4OS
Molecular Weight334.83 g/mol
Exact Mass334.07
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
SMILESCCCn1ccnc1SCC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C15H15ClN4OS/c1-2-6-20-7-5-18-15(20)22-10-14(21)19-12-4-3-11(9-17)13(16)8-12/h3-5,7-8H,2,6,10H2,1H3,(H,19,21)
InChIKeyGMFYBZUXGLEXII-UHFFFAOYSA-N
XLogP3.55
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7363022
N-(2,3-dihydro-1H-inden-5-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
CID 8005893
N-(3-chloro-4-cyanophenyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 40510800
N-(3-chloro-4-cyanophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7675538
N-(3-chloro-4-cyanophenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4797863
N-(3-chloro-4-cyanophenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16604357
N-(3-chloro-4-cyanophenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7416407
2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide
CID 16527847
N-(3-chloro-4-cyanophenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 34259295
2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 42253982
N-(3-chloro-4-cyanophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35201013
N-(3-chloro-4-cyanophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 26683051

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide (CID 25372320) is N-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide is CCCn1ccnc1SCC(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide?
The InChIKey is GMFYBZUXGLEXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4OS/c1-2-6-20-7-5-18-15(20)22-10-14(21)19-12-4-3-11(9-17)13(16)8-12/h3-5,7-8H,2,6,10H2,1H3,(H,19,21).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide?
N-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide has a molecular weight of 334.83 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 25372320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).