2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

C20H21N3O4S2 — CID 55403828

IUPAC2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)CN(c2nccs2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H21N3O4S2/c1-22(14-16-7-6-8-17(13-16)27-2)19(24)15-23(20-21-11-12-28-20)29(25,26)18-9-4-3-5-10-18/h3-13H,14-15H2,1-2H3
InChIKeyUBZMJOBJOFBCHP-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.01
Rot. Bonds8

About 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 55403828) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID55403828
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)CN(c2nccs2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H21N3O4S2/c1-22(14-16-7-6-8-17(13-16)27-2)19(24)15-23(20-21-11-12-28-20)29(25,26)18-9-4-3-5-10-18/h3-13H,14-15H2,1-2H3
InChIKeyUBZMJOBJOFBCHP-UHFFFAOYSA-N
XLogP3.01
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-methyl-2-(N-(3-methylphenyl)sulfonylanilino)acetamide
CID 78881152
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 27805787
N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 51108485
4-[2-(3-methoxyphenyl)ethyl-(1,3-thiazol-2-yl)sulfamoyl]benzamide
CID 140537411
N-benzyl-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 1100135
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
2-(3-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 110723395
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 78787642
2-[4-(benzenesulfonyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 55764756
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide
CID 17435397
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 92673487

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (CID 55403828) is 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is COc1cccc(CN(C)C(=O)CN(c2nccs2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is UBZMJOBJOFBCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-22(14-16-7-6-8-17(13-16)27-2)19(24)15-23(20-21-11-12-28-20)29(25,26)18-9-4-3-5-10-18/h3-13H,14-15H2,1-2H3.
What are the key properties of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 431.54 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 55403828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).