N-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide

C27H35N3O4S — CID 20901008

IUPACN-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)c(C)c1
InChIInChI=1S/C27H35N3O4S/c1-17-6-12-23(18(2)14-17)29-25(31)20-9-7-19(8-10-20)16-28-35(33,34)21-11-13-24-22(15-21)27(3,4)26(32)30(24)5/h6,11-15,19-20,28H,7-10,16H2,1-5H3,(H,29,31)
InChIKeyWUYPSBLEUYTWTC-UHFFFAOYSA-N
MW497.66 g/mol
LogP4.28
Rot. Bonds6

About N-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide

N-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide (PubChem CID 20901008) has the molecular formula C27H35N3O4S and a molecular weight of 497.66 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
PubChem CID20901008
Molecular FormulaC27H35N3O4S
Molecular Weight497.66 g/mol
Exact Mass497.23
IUPAC NameN-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)c(C)c1
InChIInChI=1S/C27H35N3O4S/c1-17-6-12-23(18(2)14-17)29-25(31)20-9-7-19(8-10-20)16-28-35(33,34)21-11-13-24-22(15-21)27(3,4)26(32)30(24)5/h6,11-15,19-20,28H,7-10,16H2,1-5H3,(H,29,31)
InChIKeyWUYPSBLEUYTWTC-UHFFFAOYSA-N
XLogP4.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.66
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 20901002
1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide
CID 20901007
N-(1-phenylethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 20901009
1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide
CID 20901006
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
N-(3-methylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22519320
N-(4-methyl-2-pyridinyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22582650
1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide
CID 22518795
(3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92681782
N-(2,4-dimethylphenyl)-4-(4-ethylcyclohexyl)cyclohexane-1-carboxamide
CID 157168995
(3S)-N-(4-methyl-2-pyridinyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92681811
N-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 4156842

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide (CID 20901008) is N-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The InChIKey is WUYPSBLEUYTWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4S/c1-17-6-12-23(18(2)14-17)29-25(31)20-9-7-19(8-10-20)16-28-35(33,34)21-11-13-24-22(15-21)27(3,4)26(32)30(24)5/h6,11-15,19-20,28H,7-10,16H2,1-5H3,(H,29,31).
What are the key properties of N-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
N-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide has a molecular weight of 497.66 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20901008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).