2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide

C14H16ClN3O4S2 — CID 87545717

IUPAC2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1
InChIInChI=1S/C14H16ClN3O4S2/c1-9-11(15)5-4-6-12(9)24(20,21)17-14-16-10(8-23-14)7-13(19)18(2)22-3/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeyRVGOYEWLPWEFCI-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.47
Rot. Bonds6

About 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide

2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide (PubChem CID 87545717) has the molecular formula C14H16ClN3O4S2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide
PubChem CID87545717
Molecular FormulaC14H16ClN3O4S2
Molecular Weight389.89 g/mol
Exact Mass389.03
IUPAC Name2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1
InChIInChI=1S/C14H16ClN3O4S2/c1-9-11(15)5-4-6-12(9)24(20,21)17-14-16-10(8-23-14)7-13(19)18(2)22-3/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeyRVGOYEWLPWEFCI-UHFFFAOYSA-N
XLogP2.47
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 10111686
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 87545698
3-chloro-N-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87546416
N-[4-(2-bromoethyl)-1,3-thiazol-2-yl]-3-chloro-2-methylbenzenesulfonamide
CID 11292384
3-chloro-2-methyl-N-[4-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 87546782
3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide
CID 172777152
3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]propyl methanesulfonate
CID 87546687
3-chloro-2-methyl-N-[4-[2-[methyl(trifluoromethylsulfonyl)amino]ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 159114145
3-chloro-N-[4-[3-(2-hydroxyethylamino)propyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87546948
3-chloro-N-[4-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87757253
3-chloro-N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 11225006
sodium;3-chloro-2-methyl-N-[4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydride
CID 162109566

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide?
The IUPAC name of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide (CID 87545717) is 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide is CON(C)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1.
What is the InChIKey of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide?
The InChIKey is RVGOYEWLPWEFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O4S2/c1-9-11(15)5-4-6-12(9)24(20,21)17-14-16-10(8-23-14)7-13(19)18(2)22-3/h4-6,8H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide?
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide has a molecular weight of 389.89 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-methoxy-N-methylacetamide is sourced from PubChem (CID 87545717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).