2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide

C17H24N2O3S — CID 96998024

IUPAC2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide
SMILESCN(C(=O)CN1Cc2ccccc2C1)[C@@H]1CCC[C@@H]1S(C)(=O)=O
InChIInChI=1S/C17H24N2O3S/c1-18(15-8-5-9-16(15)23(2,21)22)17(20)12-19-10-13-6-3-4-7-14(13)11-19/h3-4,6-7,15-16H,5,8-12H2,1-2H3/t15-,16+/m1/s1
InChIKeyRTTWIHHKZZWXQM-CVEARBPZSA-N
MW336.46 g/mol
LogP1.43
Rot. Bonds4

About 2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide

2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide (PubChem CID 96998024) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide
PubChem CID96998024
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide
SMILESCN(C(=O)CN1Cc2ccccc2C1)[C@@H]1CCC[C@@H]1S(C)(=O)=O
InChIInChI=1S/C17H24N2O3S/c1-18(15-8-5-9-16(15)23(2,21)22)17(20)12-19-10-13-6-3-4-7-14(13)11-19/h3-4,6-7,15-16H,5,8-12H2,1-2H3/t15-,16+/m1/s1
InChIKeyRTTWIHHKZZWXQM-CVEARBPZSA-N
XLogP1.43
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride
CID 120611307
2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride
CID 119803165
2-(1-aminocyclobutyl)-N-methyl-N-(2-methylsulfonylcyclopentyl)acetamide
CID 91659756
2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide
CID 99850023
cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine
CID 129423562
4-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]carbamoyl]benzoic acid
CID 125132908
3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea
CID 96535798
methyl 2-[[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]methyl]benzoate
CID 124776937
1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 104750643
N-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 119803178
4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid
CID 65068130
N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 84591142

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide (CID 96998024) is 2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide is CN(C(=O)CN1Cc2ccccc2C1)[C@@H]1CCC[C@@H]1S(C)(=O)=O.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide?
The InChIKey is RTTWIHHKZZWXQM-CVEARBPZSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-18(15-8-5-9-16(15)23(2,21)22)17(20)12-19-10-13-6-3-4-7-14(13)11-19/h3-4,6-7,15-16H,5,8-12H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide?
2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide has a molecular weight of 336.46 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide is sourced from PubChem (CID 96998024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).