2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C14H16ClN3O3S2 — CID 1300253

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)sc1C
InChIInChI=1S/C14H16ClN3O3S2/c1-9-10(2)22-14(16-9)17-13(19)8-18(3)23(20,21)12-6-4-11(15)5-7-12/h4-7H,8H2,1-3H3,(H,16,17,19)
InChIKeyBVJATWFOKSNGOU-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.67
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1300253) has the molecular formula C14H16ClN3O3S2 and a molecular weight of 373.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID1300253
Molecular FormulaC14H16ClN3O3S2
Molecular Weight373.89 g/mol
Exact Mass373.03
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)sc1C
InChIInChI=1S/C14H16ClN3O3S2/c1-9-10(2)22-14(16-9)17-13(19)8-18(3)23(20,21)12-6-4-11(15)5-7-12/h4-7H,8H2,1-3H3,(H,16,17,19)
InChIKeyBVJATWFOKSNGOU-UHFFFAOYSA-N
XLogP2.67
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 1300253) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)sc1C.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is BVJATWFOKSNGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S2/c1-9-10(2)22-14(16-9)17-13(19)8-18(3)23(20,21)12-6-4-11(15)5-7-12/h4-7H,8H2,1-3H3,(H,16,17,19).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 373.89 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1300253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).