N-(2-chloro-4,6-dimethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide

C16H19ClN2O3S2 — CID 86989609

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide
SMILESCCc1nc(CS(=O)(=O)CC(=O)Nc2c(C)cc(C)cc2Cl)cs1
InChIInChI=1S/C16H19ClN2O3S2/c1-4-15-18-12(7-23-15)8-24(21,22)9-14(20)19-16-11(3)5-10(2)6-13(16)17/h5-7H,4,8-9H2,1-3H3,(H,19,20)
InChIKeySJMKDXLJTPDQAA-UHFFFAOYSA-N
MW386.93 g/mol
LogP3.53
Rot. Bonds6

About N-(2-chloro-4,6-dimethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide (PubChem CID 86989609) has the molecular formula C16H19ClN2O3S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide
PubChem CID86989609
Molecular FormulaC16H19ClN2O3S2
Molecular Weight386.93 g/mol
Exact Mass386.05
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide
SMILESCCc1nc(CS(=O)(=O)CC(=O)Nc2c(C)cc(C)cc2Cl)cs1
InChIInChI=1S/C16H19ClN2O3S2/c1-4-15-18-12(7-23-15)8-24(21,22)9-14(20)19-16-11(3)5-10(2)6-13(16)17/h5-7H,4,8-9H2,1-3H3,(H,19,20)
InChIKeySJMKDXLJTPDQAA-UHFFFAOYSA-N
XLogP3.53
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 86989584
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide
CID 86925990
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110859463
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
CID 112998242
N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
CID 43382327
2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 82179960
5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol
CID 111104868
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9289324
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 108995128

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide (CID 86989609) is N-(2-chloro-4,6-dimethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide is CCc1nc(CS(=O)(=O)CC(=O)Nc2c(C)cc(C)cc2Cl)cs1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide?
The InChIKey is SJMKDXLJTPDQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S2/c1-4-15-18-12(7-23-15)8-24(21,22)9-14(20)19-16-11(3)5-10(2)6-13(16)17/h5-7H,4,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide has a molecular weight of 386.93 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide is sourced from PubChem (CID 86989609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).