2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide

C21H20N4O3S2 — CID 86935773

IUPAC2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1[nH]c2ccccc2c1-c1csc(NC(=O)Cc2ccccc2NS(C)(=O)=O)n1
InChIInChI=1S/C21H20N4O3S2/c1-13-20(15-8-4-6-10-17(15)22-13)18-12-29-21(23-18)24-19(26)11-14-7-3-5-9-16(14)25-30(2,27)28/h3-10,12,22,25H,11H2,1-2H3,(H,23,24,26)
InChIKeyURBSTJLSUJRMAE-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.15
Rot. Bonds6

About 2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide

2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 86935773) has the molecular formula C21H20N4O3S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID86935773
Molecular FormulaC21H20N4O3S2
Molecular Weight440.55 g/mol
Exact Mass440.10
IUPAC Name2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1[nH]c2ccccc2c1-c1csc(NC(=O)Cc2ccccc2NS(C)(=O)=O)n1
InChIInChI=1S/C21H20N4O3S2/c1-13-20(15-8-4-6-10-17(15)22-13)18-12-29-21(23-18)24-19(26)11-14-7-3-5-9-16(14)25-30(2,27)28/h3-10,12,22,25H,11H2,1-2H3,(H,23,24,26)
InChIKeyURBSTJLSUJRMAE-UHFFFAOYSA-N
XLogP4.15
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]butanamide
CID 75401712
2-(1-benzofuran-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 166057991
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 24568913
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride
CID 146052089
(2S)-2-acetamido-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 46969745
3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide
CID 42931144
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 26177070
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135987755
1-(benzenesulfonyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26177013
6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 46970234
2,6-difluoro-N-[(2S)-3-methyl-1-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide
CID 24568899
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24608215

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide (CID 86935773) is 2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide is Cc1[nH]c2ccccc2c1-c1csc(NC(=O)Cc2ccccc2NS(C)(=O)=O)n1.
What is the InChIKey of 2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is URBSTJLSUJRMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S2/c1-13-20(15-8-4-6-10-17(15)22-13)18-12-29-21(23-18)24-19(26)11-14-7-3-5-9-16(14)25-30(2,27)28/h3-10,12,22,25H,11H2,1-2H3,(H,23,24,26).
What are the key properties of 2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 440.55 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86935773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).