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

C27H35N3O4S — CID 20901009

IUPACN-(1-phenylethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1)c1ccccc1
InChIInChI=1S/C27H35N3O4S/c1-18(20-8-6-5-7-9-20)29-25(31)21-12-10-19(11-13-21)17-28-35(33,34)22-14-15-24-23(16-22)27(2,3)26(32)30(24)4/h5-9,14-16,18-19,21,28H,10-13,17H2,1-4H3,(H,29,31)
InChIKeyQBJXURWMSUGHOT-UHFFFAOYSA-N
MW497.66 g/mol
LogP3.90
Rot. Bonds7

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

N-(1-phenylethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide (PubChem CID 20901009) has the molecular formula C27H35N3O4S and a molecular weight of 497.66 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
PubChem CID20901009
Molecular FormulaC27H35N3O4S
Molecular Weight497.66 g/mol
Exact Mass497.23
IUPAC NameN-(1-phenylethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1)c1ccccc1
InChIInChI=1S/C27H35N3O4S/c1-18(20-8-6-5-7-9-20)29-25(31)21-12-10-19(11-13-21)17-28-35(33,34)22-14-15-24-23(16-22)27(2,3)26(32)30(24)4/h5-9,14-16,18-19,21,28H,10-13,17H2,1-4H3,(H,29,31)
InChIKeyQBJXURWMSUGHOT-UHFFFAOYSA-N
XLogP3.90
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.66
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-phenylethyl)-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-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 20901008
1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide
CID 20901006
2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 92681437
(2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid
CID 92863742
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
CID 22582606
4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 46335868
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124650011
N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 3467303
N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide
CID 20903323

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(1-phenylethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide (CID 20901009) is N-(1-phenylethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide is CC(NC(=O)C1CCC(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The InChIKey is QBJXURWMSUGHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4S/c1-18(20-8-6-5-7-9-20)29-25(31)21-12-10-19(11-13-21)17-28-35(33,34)22-14-15-24-23(16-22)27(2,3)26(32)30(24)4/h5-9,14-16,18-19,21,28H,10-13,17H2,1-4H3,(H,29,31).
What are the key properties of N-(1-phenylethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
N-(1-phenylethyl)-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 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20901009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).