(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide

C20H30N2O3S — CID 97024862

IUPAC(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCC3CCCCCCC3)cc2C[C@@H]1C
InChIInChI=1S/C20H30N2O3S/c1-15-12-18-13-19(10-11-20(18)22(15)16(2)23)26(24,25)21-14-17-8-6-4-3-5-7-9-17/h10-11,13,15,17,21H,3-9,12,14H2,1-2H3/t15-/m0/s1
InChIKeyQULCGTRWOYAPGX-HNNXBMFYSA-N
MW378.54 g/mol
LogP3.62
Rot. Bonds4

About (2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide

(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 97024862) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is (2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID97024862
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCC3CCCCCCC3)cc2C[C@@H]1C
InChIInChI=1S/C20H30N2O3S/c1-15-12-18-13-19(10-11-20(18)22(15)16(2)23)26(24,25)21-14-17-8-6-4-3-5-7-9-17/h10-11,13,15,17,21H,3-9,12,14H2,1-2H3/t15-/m0/s1
InChIKeyQULCGTRWOYAPGX-HNNXBMFYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 92863752
4-[[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide
CID 20903301
1-acetyl-2-methyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 119974443
1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 20903291
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide
CID 92688139
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclohexyl-N-methylpropanamide
CID 24793666
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461
1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119983821
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
(2R)-1-acetyl-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide
CID 92504914
N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 97024862) is (2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)NCC3CCCCCCC3)cc2C[C@@H]1C.
What is the InChIKey of (2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is QULCGTRWOYAPGX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-15-12-18-13-19(10-11-20(18)22(15)16(2)23)26(24,25)21-14-17-8-6-4-3-5-7-9-17/h10-11,13,15,17,21H,3-9,12,14H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 378.54 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 97024862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).