N,2-dimethyl-5-methylsulfonyl-N-(1,3-thiazol-2-yl)benzamide

C13H14N2O3S2 — CID 86980048

IUPACN,2-dimethyl-5-methylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N(C)c1nccs1
InChIInChI=1S/C13H14N2O3S2/c1-9-4-5-10(20(3,17)18)8-11(9)12(16)15(2)13-14-6-7-19-13/h4-8H,1-3H3
InChIKeyAPWMKUCRYFUODJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.13
Rot. Bonds3

About N,2-dimethyl-5-methylsulfonyl-N-(1,3-thiazol-2-yl)benzamide

N,2-dimethyl-5-methylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 86980048) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N,2-dimethyl-5-methylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN,2-dimethyl-5-methylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID86980048
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC NameN,2-dimethyl-5-methylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N(C)c1nccs1
InChIInChI=1S/C13H14N2O3S2/c1-9-4-5-10(20(3,17)18)8-11(9)12(16)15(2)13-14-6-7-19-13/h4-8H,1-3H3
InChIKeyAPWMKUCRYFUODJ-UHFFFAOYSA-N
XLogP2.13
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-thiazol-2-ylmethyl 2-methyl-5-methylsulfonylbenzoate
CID 47073636
4-(dimethylsulfamoyl)-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723354
2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 47182345
5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 86998664
N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide
CID 55360576
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 86828299
7-bromo-N,2-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 47062371
N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride
CID 119090287
N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide
CID 27861266
3-chloro-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723358
4-bromo-N-methyl-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 47391527
2,6-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723339

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-methylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of N,2-dimethyl-5-methylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (CID 86980048) is N,2-dimethyl-5-methylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N,2-dimethyl-5-methylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N,2-dimethyl-5-methylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)c1nccs1.
What is the InChIKey of N,2-dimethyl-5-methylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is APWMKUCRYFUODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-9-4-5-10(20(3,17)18)8-11(9)12(16)15(2)13-14-6-7-19-13/h4-8H,1-3H3.
What are the key properties of N,2-dimethyl-5-methylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
N,2-dimethyl-5-methylsulfonyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-methylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 86980048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).