N-cyclohexyl-N-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C19H28N2O3S — CID 55519708

IUPACN-cyclohexyl-N-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C19H28N2O3S/c1-4-20(17-8-6-5-7-9-17)19(22)15-10-11-18-16(13-15)12-14(2)21(18)25(3,23)24/h10-11,13-14,17H,4-9,12H2,1-3H3
InChIKeyXWKNKKQOCIKMKJ-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.19
Rot. Bonds4

About N-cyclohexyl-N-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-cyclohexyl-N-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55519708) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID55519708
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-cyclohexyl-N-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C19H28N2O3S/c1-4-20(17-8-6-5-7-9-17)19(22)15-10-11-18-16(13-15)12-14(2)21(18)25(3,23)24/h10-11,13-14,17H,4-9,12H2,1-3H3
InChIKeyXWKNKKQOCIKMKJ-UHFFFAOYSA-N
XLogP3.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-cyclopropyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55587589
2-[cyclopropyl-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]acetic acid
CID 125146961
(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 7129137
(2R)-N,2-dimethyl-N-[(4-methylphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51906979
(2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9327258
azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 51200417
azepan-1-yl-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 9036686
N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18117095
(2S)-N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 30796606
(2R)-N-(furan-2-ylmethyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 27739678
(2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9481018
(2R)-N-cyclopropyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210140

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 55519708) is N-cyclohexyl-N-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CCN(C(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is XWKNKKQOCIKMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-4-20(17-8-6-5-7-9-17)19(22)15-10-11-18-16(13-15)12-14(2)21(18)25(3,23)24/h10-11,13-14,17H,4-9,12H2,1-3H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-cyclohexyl-N-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 364.51 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55519708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).