3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide

C23H19N3O4S3 — CID 160842834

IUPAC3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCC(=O)Cc2nc(-c3cccc(-c4nccs4)c3)cs2)c1
InChIInChI=1S/C23H19N3O4S3/c1-33(29,30)19-7-3-5-16(11-19)22(28)25-13-18(27)12-21-26-20(14-32-21)15-4-2-6-17(10-15)23-24-8-9-31-23/h2-11,14H,12-13H2,1H3,(H,25,28)
InChIKeySIGGZJXSORXQJP-UHFFFAOYSA-N
MW497.62 g/mol
LogP3.88
Rot. Bonds8

About 3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide

3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide (PubChem CID 160842834) has the molecular formula C23H19N3O4S3 and a molecular weight of 497.62 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide
PubChem CID160842834
Molecular FormulaC23H19N3O4S3
Molecular Weight497.62 g/mol
Exact Mass497.05
IUPAC Name3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCC(=O)Cc2nc(-c3cccc(-c4nccs4)c3)cs2)c1
InChIInChI=1S/C23H19N3O4S3/c1-33(29,30)19-7-3-5-16(11-19)22(28)25-13-18(27)12-21-26-20(14-32-21)15-4-2-6-17(10-15)23-24-8-9-31-23/h2-11,14H,12-13H2,1H3,(H,25,28)
InChIKeySIGGZJXSORXQJP-UHFFFAOYSA-N
XLogP3.88
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-methylsulfonyl-N-[2-oxo-3-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]propyl]benzamide
CID 159737343
2-[methyl-[4-[3-[2-[3-[(5-methyl-1-methylsulfonylpyrrole-3-carbonyl)amino]-2-oxopropyl]-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetic acid
CID 165105991
5-methyl-N-[3-[4-[3-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide
CID 164997291
N-[2-oxo-3-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]propyl]-1H-indazole-5-carboxamide
CID 159882181
N-[2-(dimethylsulfamoyl)ethyl]-3-(1,3-thiazol-2-yl)benzamide
CID 118780626
5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide
CID 164980347
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-propan-2-ylsulfonylbenzamide
CID 166172356
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 32623148
N-[(2S)-1-amino-3-oxo-4-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]-3-(dimethylsulfamoyl)benzamide;sulfane
CID 161463731
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 7565614
N,N-diethyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372127
3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 56585528

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide?
The IUPAC name of 3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide (CID 160842834) is 3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide.
What is the SMILES notation for 3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide?
The canonical SMILES for 3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide is CS(=O)(=O)c1cccc(C(=O)NCC(=O)Cc2nc(-c3cccc(-c4nccs4)c3)cs2)c1.
What is the InChIKey of 3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide?
The InChIKey is SIGGZJXSORXQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S3/c1-33(29,30)19-7-3-5-16(11-19)22(28)25-13-18(27)12-21-26-20(14-32-21)15-4-2-6-17(10-15)23-24-8-9-31-23/h2-11,14H,12-13H2,1H3,(H,25,28).
What are the key properties of 3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide?
3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide has a molecular weight of 497.62 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[2-oxo-3-[4-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazol-2-yl]propyl]benzamide is sourced from PubChem (CID 160842834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).