N-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide

C23H29N3O4S — CID 22518700

IUPACN-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
SMILESCc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1
InChIInChI=1S/C23H29N3O4S/c1-16-6-8-17(9-7-16)12-13-24-21(27)15-25(4)31(29,30)18-10-11-20-19(14-18)23(2,3)22(28)26(20)5/h6-11,14H,12-13,15H2,1-5H3,(H,24,27)
InChIKeyUUHWUGFEQAQELN-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.23
Rot. Bonds7

About N-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide

N-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide (PubChem CID 22518700) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
PubChem CID22518700
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
SMILESCc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1
InChIInChI=1S/C23H29N3O4S/c1-16-6-8-17(9-7-16)12-13-24-21(27)15-25(4)31(29,30)18-10-11-20-19(14-18)23(2,3)22(28)26(20)5/h6-11,14H,12-13,15H2,1-5H3,(H,24,27)
InChIKeyUUHWUGFEQAQELN-UHFFFAOYSA-N
XLogP2.23
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518709
N-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518738
1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide
CID 22518795
N-(3,5-dimethoxyphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518675
2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 92681437
N-(2,5-difluorophenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518658
N-(4-ethoxyphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518685
2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]-N-(2-phenylethyl)acetamide
CID 20876066
2-[methyl-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]amino]-N-[2-(4-methylphenyl)ethyl]acetamide
CID 20927815
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2230318
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 24536757
N-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]pentanamide
CID 110790328

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide (CID 22518700) is N-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide is Cc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide?
The InChIKey is UUHWUGFEQAQELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-16-6-8-17(9-7-16)12-13-24-21(27)15-25(4)31(29,30)18-10-11-20-19(14-18)23(2,3)22(28)26(20)5/h6-11,14H,12-13,15H2,1-5H3,(H,24,27).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide?
N-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide has a molecular weight of 443.57 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide is sourced from PubChem (CID 22518700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).