2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide

C21H19N3O3S2 — CID 2053134

IUPAC2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2nccs2)c2ccccc21
InChIInChI=1S/C21H19N3O3S2/c1-15-6-2-3-7-16(15)12-24-13-19(17-8-4-5-9-18(17)24)29(26,27)14-20(25)23-21-22-10-11-28-21/h2-11,13H,12,14H2,1H3,(H,22,23,25)
InChIKeyNSTOKCDZWPTBOF-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.87
Rot. Bonds6

About 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide

2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2053134) has the molecular formula C21H19N3O3S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2053134
Molecular FormulaC21H19N3O3S2
Molecular Weight425.54 g/mol
Exact Mass425.09
IUPAC Name2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2nccs2)c2ccccc21
InChIInChI=1S/C21H19N3O3S2/c1-15-6-2-3-7-16(15)12-24-13-19(17-8-4-5-9-18(17)24)29(26,27)14-20(25)23-21-22-10-11-28-21/h2-11,13H,12,14H2,1H3,(H,22,23,25)
InChIKeyNSTOKCDZWPTBOF-UHFFFAOYSA-N
XLogP3.87
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide
CID 2157632
2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16935690
2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 148746404
2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide
CID 125483975
N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide
CID 2157618
N-(2-methylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563411
2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
CID 30559286
5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide
CID 140983112
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 20900008
N-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide
CID 2157610
2-(2-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 102584550
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 5055902

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide (CID 2053134) is 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide is Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2nccs2)c2ccccc21.
What is the InChIKey of 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is NSTOKCDZWPTBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S2/c1-15-6-2-3-7-16(15)12-24-13-19(17-8-4-5-9-18(17)24)29(26,27)14-20(25)23-21-22-10-11-28-21/h2-11,13H,12,14H2,1H3,(H,22,23,25).
What are the key properties of 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide?
2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 425.54 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2053134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).