4-[(4-chlorophenyl)-methylsulfinamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C22H17ClN4O2S2 — CID 139506168

IUPAC4-[(4-chlorophenyl)-methylsulfinamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCN(c1ccc(Cl)cc1)S(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C22H17ClN4O2S2/c1-27(17-9-7-16(23)8-10-17)31(29)18-11-5-15(6-12-18)21(28)26-22-25-20(14-30-22)19-4-2-3-13-24-19/h2-14H,1H3,(H,25,26,28)
InChIKeyCGEDYEDXBPWOQK-UHFFFAOYSA-N
MW468.99 g/mol
LogP5.27
Rot. Bonds6

About 4-[(4-chlorophenyl)-methylsulfinamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

4-[(4-chlorophenyl)-methylsulfinamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 139506168) has the molecular formula C22H17ClN4O2S2 and a molecular weight of 468.99 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-methylsulfinamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-methylsulfinamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID139506168
Molecular FormulaC22H17ClN4O2S2
Molecular Weight468.99 g/mol
Exact Mass468.05
IUPAC Name4-[(4-chlorophenyl)-methylsulfinamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCN(c1ccc(Cl)cc1)S(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C22H17ClN4O2S2/c1-27(17-9-7-16(23)8-10-17)31(29)18-11-5-15(6-12-18)21(28)26-22-25-20(14-30-22)19-4-2-3-13-24-19/h2-14H,1H3,(H,25,26,28)
InChIKeyCGEDYEDXBPWOQK-UHFFFAOYSA-N
XLogP5.27
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.99
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46912778
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
2-[(4-chlorobenzoyl)-methylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
CID 176859355
4-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46912779
4-[N-methyl-4-(trifluoromethyl)anilino]sulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 139506141
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4684808
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
4-[(5-chloro-2,3-dihydroindol-1-yl)sulfanyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 139505886
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108766703

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-methylsulfinamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)-methylsulfinamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 139506168) is 4-[(4-chlorophenyl)-methylsulfinamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)-methylsulfinamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)-methylsulfinamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is CN(c1ccc(Cl)cc1)S(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)-methylsulfinamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is CGEDYEDXBPWOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2S2/c1-27(17-9-7-16(23)8-10-17)31(29)18-11-5-15(6-12-18)21(28)26-22-25-20(14-30-22)19-4-2-3-13-24-19/h2-14H,1H3,(H,25,26,28).
What are the key properties of 4-[(4-chlorophenyl)-methylsulfinamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-[(4-chlorophenyl)-methylsulfinamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 468.99 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-methylsulfinamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 139506168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).