N-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide

C21H25N3O4S — CID 22518738

IUPACN-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
SMILESCc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1
InChIInChI=1S/C21H25N3O4S/c1-14-7-6-8-15(11-14)22-19(25)13-23(4)29(27,28)16-9-10-18-17(12-16)21(2,3)20(26)24(18)5/h6-12H,13H2,1-5H3,(H,22,25)
InChIKeyKRFSNLCVGXPKCZ-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.51
Rot. Bonds5

About N-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide

N-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide (PubChem CID 22518738) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
PubChem CID22518738
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
SMILESCc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1
InChIInChI=1S/C21H25N3O4S/c1-14-7-6-8-15(11-14)22-19(25)13-23(4)29(27,28)16-9-10-18-17(12-16)21(2,3)20(26)24(18)5/h6-12H,13H2,1-5H3,(H,22,25)
InChIKeyKRFSNLCVGXPKCZ-UHFFFAOYSA-N
XLogP2.51
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518675
N-(4-ethoxyphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518685
N-(2,5-difluorophenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518658
N-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518700
2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 92681437
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 26217725
N-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518709
2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 22518713
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide
CID 99818114
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472
ethyl 1-methyl-4-[methyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284046

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide (CID 22518738) is N-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide is Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide?
The InChIKey is KRFSNLCVGXPKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-14-7-6-8-15(11-14)22-19(25)13-23(4)29(27,28)16-9-10-18-17(12-16)21(2,3)20(26)24(18)5/h6-12H,13H2,1-5H3,(H,22,25).
What are the key properties of N-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide?
N-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide has a molecular weight of 415.52 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide is sourced from PubChem (CID 22518738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).