2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide

C16H20ClN3O3S2 — CID 10111686

IUPAC2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CC(=O)N(C)C(C)C)cs1
InChIInChI=1S/C16H20ClN3O3S2/c1-10(2)20(4)15(21)8-12-9-24-16(18-12)19-25(22,23)14-7-5-6-13(17)11(14)3/h5-7,9-10H,8H2,1-4H3,(H,18,19)
InChIKeyNSIMZMOFHFLYCX-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.32
Rot. Bonds6

About 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide

2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 10111686) 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-4-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID10111686
Molecular FormulaC16H20ClN3O3S2
Molecular Weight401.94 g/mol
Exact Mass401.06
IUPAC Name2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CC(=O)N(C)C(C)C)cs1
InChIInChI=1S/C16H20ClN3O3S2/c1-10(2)20(4)15(21)8-12-9-24-16(18-12)19-25(22,23)14-7-5-6-13(17)11(14)3/h5-7,9-10H,8H2,1-4H3,(H,18,19)
InChIKeyNSIMZMOFHFLYCX-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

Analyze 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 87545698
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide
CID 87545717
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide
CID 10237688
2-[2-(N-(3-chloro-2-methylphenyl)sulfonylanilino)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 138545364
3-chloro-N-[4-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87757253
N-[4-(2-bromoethyl)-1,3-thiazol-2-yl]-3-chloro-2-methylbenzenesulfonamide
CID 11292384
3-chloro-N-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87546416
3-chloro-2-methyl-N-[4-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 87546782
3-chloro-N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 11225006
3-chloro-N-[4-(2-cyclopentyl-2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 11689878
3-chloro-N-[4-[3-(2-hydroxyethylamino)propyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87546948
3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]propyl methanesulfonate
CID 87546687

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide (CID 10111686) is 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CC(=O)N(C)C(C)C)cs1.
What is the InChIKey of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is NSIMZMOFHFLYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S2/c1-10(2)20(4)15(21)8-12-9-24-16(18-12)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-4-yl]-N-methyl-N-propan-2-ylacetamide?
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-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-4-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 10111686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).