2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C13H13ClN2O3S2 — CID 17225204

IUPAC2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H13ClN2O3S2/c1-9-6-20-13(15-9)16-12(17)8-21(18,19)7-10-2-4-11(14)5-3-10/h2-6H,7-8H2,1H3,(H,15,16,17)
InChIKeyFTMQMTYTPIHIMK-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.66
Rot. Bonds5

About 2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 17225204) has the molecular formula C13H13ClN2O3S2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID17225204
Molecular FormulaC13H13ClN2O3S2
Molecular Weight344.85 g/mol
Exact Mass344.01
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H13ClN2O3S2/c1-9-6-20-13(15-9)16-12(17)8-21(18,19)7-10-2-4-11(14)5-3-10/h2-6H,7-8H2,1H3,(H,15,16,17)
InChIKeyFTMQMTYTPIHIMK-UHFFFAOYSA-N
XLogP2.66
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
CID 17225028
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4908224
3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2679359
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4880323
2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 798801
1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 2521715
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18567598
2-(4-chlorophenyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7543926
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534982
2-(4-chlorophenyl)-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]acetamide
CID 18912663
4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 3488841
4-chloro-N-[3-(dimethylamino)propyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 3450536

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 17225204) is 2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is FTMQMTYTPIHIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S2/c1-9-6-20-13(15-9)16-12(17)8-21(18,19)7-10-2-4-11(14)5-3-10/h2-6H,7-8H2,1H3,(H,15,16,17).
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 344.85 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 17225204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).