2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide

C16H20ClN3O3S2 — CID 10237688

IUPAC2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CC(=O)N(C)C(C)C)s1
InChIInChI=1S/C16H20ClN3O3S2/c1-10(2)20(4)15(21)8-12-9-18-16(24-12)19-25(22,23)14-7-5-6-13(17)11(14)3/h5-7,9-10H,8H2,1-4H3,(H,18,19)
InChIKeyLGKVMLOVGIZLQU-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.32
Rot. Bonds6

About 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide

2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 10237688) has the molecular formula C16H20ClN3O3S2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID10237688
Molecular FormulaC16H20ClN3O3S2
Molecular Weight401.94 g/mol
Exact Mass401.06
IUPAC Name2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CC(=O)N(C)C(C)C)s1
InChIInChI=1S/C16H20ClN3O3S2/c1-10(2)20(4)15(21)8-12-9-18-16(24-12)19-25(22,23)14-7-5-6-13(17)11(14)3/h5-7,9-10H,8H2,1-4H3,(H,18,19)
InChIKeyLGKVMLOVGIZLQU-UHFFFAOYSA-N
XLogP3.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide (CID 10237688) is 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CC(=O)N(C)C(C)C)s1.
What is the InChIKey of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is LGKVMLOVGIZLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S2/c1-10(2)20(4)15(21)8-12-9-18-16(24-12)19-25(22,23)14-7-5-6-13(17)11(14)3/h5-7,9-10H,8H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide?
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 401.94 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 10237688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).