1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride

C19H30ClN3O3S — CID 119983821

IUPAC1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
SMILESCC(=O)N1c2ccc(S(=O)(=O)NC(CN)C3CCCCC3)cc2CC1C.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-13-10-16-11-17(8-9-19(16)22(13)14(2)23)26(24,25)21-18(12-20)15-6-4-3-5-7-15;/h8-9,11,13,15,18,21H,3-7,10,12,20H2,1-2H3;1H
InChIKeyHTGMUQDRIGXQCP-UHFFFAOYSA-N
MW415.99 g/mol
LogP2.59
Rot. Bonds5

About 1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride

1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride (PubChem CID 119983821) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is 1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
PubChem CID119983821
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC Name1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
SMILESCC(=O)N1c2ccc(S(=O)(=O)NC(CN)C3CCCCC3)cc2CC1C.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-13-10-16-11-17(8-9-19(16)22(13)14(2)23)26(24,25)21-18(12-20)15-6-4-3-5-7-15;/h8-9,11,13,15,18,21H,3-7,10,12,20H2,1-2H3;1H
InChIKeyHTGMUQDRIGXQCP-UHFFFAOYSA-N
XLogP2.59
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride with MolForge

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Related Compounds

1-acetyl-N-(1-amino-4-methylpentan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 119983377
1-acetyl-N-(1-aminohexan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119993278
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide
CID 46274930
1-acetyl-N-[2-(aminomethyl)cyclopentyl]-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119985860
1-acetyl-N-(1-amino-2-methylpropan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119975736
1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120584869
1-acetyl-N-[1-(aminomethyl)cyclopentyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 119980970
1-acetyl-N-(1-aminopropan-2-yl)-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119982855
N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride
CID 119983696
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclohexyl-N-methylpropanamide
CID 24793666
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 1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride?
The IUPAC name of 1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride (CID 119983821) is 1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride is CC(=O)N1c2ccc(S(=O)(=O)NC(CN)C3CCCCC3)cc2CC1C.Cl.
What is the InChIKey of 1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride?
The InChIKey is HTGMUQDRIGXQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c1-13-10-16-11-17(8-9-19(16)22(13)14(2)23)26(24,25)21-18(12-20)15-6-4-3-5-7-15;/h8-9,11,13,15,18,21H,3-7,10,12,20H2,1-2H3;1H.
What are the key properties of 1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride?
1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 119983821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).