N-(1-methylsulfonylpyrrolidin-3-yl)-3-(1,3-thiazol-4-yl)benzamide

C15H17N3O3S2 — CID 167989035

IUPACN-(1-methylsulfonylpyrrolidin-3-yl)-3-(1,3-thiazol-4-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cccc(-c3cscn3)c2)C1
InChIInChI=1S/C15H17N3O3S2/c1-23(20,21)18-6-5-13(8-18)17-15(19)12-4-2-3-11(7-12)14-9-22-10-16-14/h2-4,7,9-10,13H,5-6,8H2,1H3,(H,17,19)
InChIKeyMOYKMCOJMTUPDP-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.57
Rot. Bonds4

About N-(1-methylsulfonylpyrrolidin-3-yl)-3-(1,3-thiazol-4-yl)benzamide

N-(1-methylsulfonylpyrrolidin-3-yl)-3-(1,3-thiazol-4-yl)benzamide (PubChem CID 167989035) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(1-methylsulfonylpyrrolidin-3-yl)-3-(1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpyrrolidin-3-yl)-3-(1,3-thiazol-4-yl)benzamide
PubChem CID167989035
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC NameN-(1-methylsulfonylpyrrolidin-3-yl)-3-(1,3-thiazol-4-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cccc(-c3cscn3)c2)C1
InChIInChI=1S/C15H17N3O3S2/c1-23(20,21)18-6-5-13(8-18)17-15(19)12-4-2-3-11(7-12)14-9-22-10-16-14/h2-4,7,9-10,13H,5-6,8H2,1H3,(H,17,19)
InChIKeyMOYKMCOJMTUPDP-UHFFFAOYSA-N
XLogP1.57
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide
CID 154810387
3-[[(R)-methylsulfinyl]methyl]-N-[(3S)-1-methylsulfonylpiperidin-3-yl]benzamide
CID 95305202
4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871266
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-(1-methylsulfonylpyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 110866984
2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871264
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56568082
3-[2-methyl-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]benzoic acid
CID 125014260
1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 72881399
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
N-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide
CID 47910567

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpyrrolidin-3-yl)-3-(1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(1-methylsulfonylpyrrolidin-3-yl)-3-(1,3-thiazol-4-yl)benzamide (CID 167989035) is N-(1-methylsulfonylpyrrolidin-3-yl)-3-(1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(1-methylsulfonylpyrrolidin-3-yl)-3-(1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(1-methylsulfonylpyrrolidin-3-yl)-3-(1,3-thiazol-4-yl)benzamide is CS(=O)(=O)N1CCC(NC(=O)c2cccc(-c3cscn3)c2)C1.
What is the InChIKey of N-(1-methylsulfonylpyrrolidin-3-yl)-3-(1,3-thiazol-4-yl)benzamide?
The InChIKey is MOYKMCOJMTUPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-23(20,21)18-6-5-13(8-18)17-15(19)12-4-2-3-11(7-12)14-9-22-10-16-14/h2-4,7,9-10,13H,5-6,8H2,1H3,(H,17,19).
What are the key properties of N-(1-methylsulfonylpyrrolidin-3-yl)-3-(1,3-thiazol-4-yl)benzamide?
N-(1-methylsulfonylpyrrolidin-3-yl)-3-(1,3-thiazol-4-yl)benzamide has a molecular weight of 351.45 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpyrrolidin-3-yl)-3-(1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 167989035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).