3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide

C27H33N3O4S — CID 11283333

IUPAC3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N(C)C)c2c1
InChIInChI=1S/C27H33N3O4S/c1-4-35(33,34)28-27(32)21-15-16-22-23(17-21)30(18-24(31)29(2)3)26(20-13-9-6-10-14-20)25(22)19-11-7-5-8-12-19/h6,9-10,13-17,19H,4-5,7-8,11-12,18H2,1-3H3,(H,28,32)
InChIKeyIILCHWNVYMSNJR-UHFFFAOYSA-N
MW495.65 g/mol
LogP4.52
Rot. Bonds7

About 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide

3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide (PubChem CID 11283333) has the molecular formula C27H33N3O4S and a molecular weight of 495.65 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide
PubChem CID11283333
Molecular FormulaC27H33N3O4S
Molecular Weight495.65 g/mol
Exact Mass495.22
IUPAC Name3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N(C)C)c2c1
InChIInChI=1S/C27H33N3O4S/c1-4-35(33,34)28-27(32)21-15-16-22-23(17-21)30(18-24(31)29(2)3)26(20-13-9-6-10-14-20)25(22)19-11-7-5-8-12-19/h6,9-10,13-17,19H,4-5,7-8,11-12,18H2,1-3H3,(H,28,32)
InChIKeyIILCHWNVYMSNJR-UHFFFAOYSA-N
XLogP4.52
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide?
The IUPAC name of 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide (CID 11283333) is 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide.
What is the SMILES notation for 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide?
The canonical SMILES for 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide is CCS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N(C)C)c2c1.
What is the InChIKey of 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide?
The InChIKey is IILCHWNVYMSNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4S/c1-4-35(33,34)28-27(32)21-15-16-22-23(17-21)30(18-24(31)29(2)3)26(20-13-9-6-10-14-20)25(22)19-11-7-5-8-12-19/h6,9-10,13-17,19H,4-5,7-8,11-12,18H2,1-3H3,(H,28,32).
What are the key properties of 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide?
3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide has a molecular weight of 495.65 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide is sourced from PubChem (CID 11283333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).