2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide

C24H18N4OS — CID 60557057

IUPAC2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
SMILESCn1ccnc1-c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1
InChIInChI=1S/C24H18N4OS/c1-28-14-13-26-23(28)17-8-6-9-19(15-17)27-24(29)20-10-3-5-12-22(20)30-21-11-4-2-7-18(21)16-25/h2-15H,1H3,(H,27,29)
InChIKeyJABAGLZGEZXQNX-UHFFFAOYSA-N
MW410.50 g/mol
LogP5.36
Rot. Bonds5

About 2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide

2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide (PubChem CID 60557057) has the molecular formula C24H18N4OS and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
PubChem CID60557057
Molecular FormulaC24H18N4OS
Molecular Weight410.50 g/mol
Exact Mass410.12
IUPAC Name2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
SMILESCn1ccnc1-c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1
InChIInChI=1S/C24H18N4OS/c1-28-14-13-26-23(28)17-8-6-9-19(15-17)27-24(29)20-10-3-5-12-22(20)30-21-11-4-2-7-18(21)16-25/h2-15H,1H3,(H,27,29)
InChIKeyJABAGLZGEZXQNX-UHFFFAOYSA-N
XLogP5.36
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
CID 1471282
N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 34111218
2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide
CID 43008037
2-(2-cyanophenyl)sulfanyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525249
5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60557129
3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide
CID 136530773
N-[3-(1-methylimidazol-2-yl)phenyl]furan-2-carboxamide
CID 136578540
2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide
CID 3670324
5-fluoro-2-methoxy-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
CID 136578547
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2-cyanophenyl)sulfanylbenzamide
CID 55769470
3-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 167916723
2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55382568

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide (CID 60557057) is 2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide is Cn1ccnc1-c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1.
What is the InChIKey of 2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide?
The InChIKey is JABAGLZGEZXQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4OS/c1-28-14-13-26-23(28)17-8-6-9-19(15-17)27-24(29)20-10-3-5-12-22(20)30-21-11-4-2-7-18(21)16-25/h2-15H,1H3,(H,27,29).
What are the key properties of 2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide?
2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide has a molecular weight of 410.50 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 60557057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).