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

C16H20ClN3O4S2 — CID 5078552

IUPAC2-[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCOCCN(CC(=O)Nc1nc(C)c(C)s1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O4S2/c1-11-12(2)25-16(18-11)19-15(21)10-20(8-9-24-3)26(22,23)14-6-4-13(17)5-7-14/h4-7H,8-10H2,1-3H3,(H,18,19,21)
InChIKeyKBFQTBXBRQHBPB-UHFFFAOYSA-N
MW417.94 g/mol
LogP2.69
Rot. Bonds8

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

2-[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 5078552) has the molecular formula C16H20ClN3O4S2 and a molecular weight of 417.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID5078552
Molecular FormulaC16H20ClN3O4S2
Molecular Weight417.94 g/mol
Exact Mass417.06
IUPAC Name2-[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCOCCN(CC(=O)Nc1nc(C)c(C)s1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O4S2/c1-11-12(2)25-16(18-11)19-15(21)10-20(8-9-24-3)26(22,23)14-6-4-13(17)5-7-14/h4-7H,8-10H2,1-3H3,(H,18,19,21)
InChIKeyKBFQTBXBRQHBPB-UHFFFAOYSA-N
XLogP2.69
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methoxyethyl-(4-methoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 4219105
methyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 44922187
2-[(3,4-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 24678249
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(2-methoxyethyl)acetamide
CID 2292710
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4880323
2-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 3663546
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluoro-N-(3-methoxypropyl)benzamide
CID 4302806
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
CID 3426870
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-phenylbenzamide
CID 42771489
2-[2-(diethylamino)ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 42770888
4-butoxy-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 42771492
2-[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 42676841

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 5078552) is 2-[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is COCCN(CC(=O)Nc1nc(C)c(C)s1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KBFQTBXBRQHBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4S2/c1-11-12(2)25-16(18-11)19-15(21)10-20(8-9-24-3)26(22,23)14-6-4-13(17)5-7-14/h4-7H,8-10H2,1-3H3,(H,18,19,21).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 417.94 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 5078552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).