(2S)-1-[1-(4-aminophenyl)sulfonylpiperidine-4-carbonyl]-N-(2-methoxyethyl)-2,3-dihydroindole-2-carboxamide

C24H30N4O5S — CID 15858674

IUPAC(2S)-1-[1-(4-aminophenyl)sulfonylpiperidine-4-carbonyl]-N-(2-methoxyethyl)-2,3-dihydroindole-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C24H30N4O5S/c1-33-15-12-26-23(29)22-16-18-4-2-3-5-21(18)28(22)24(30)17-10-13-27(14-11-17)34(31,32)20-8-6-19(25)7-9-20/h2-9,17,22H,10-16,25H2,1H3,(H,26,29)/t22-/m0/s1
InChIKeyBLWKSJSJTRSTGD-QFIPXVFZSA-N
MW486.59 g/mol
LogP1.39
Rot. Bonds7

About (2S)-1-[1-(4-aminophenyl)sulfonylpiperidine-4-carbonyl]-N-(2-methoxyethyl)-2,3-dihydroindole-2-carboxamide

(2S)-1-[1-(4-aminophenyl)sulfonylpiperidine-4-carbonyl]-N-(2-methoxyethyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 15858674) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is (2S)-1-[1-(4-aminophenyl)sulfonylpiperidine-4-carbonyl]-N-(2-methoxyethyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[1-(4-aminophenyl)sulfonylpiperidine-4-carbonyl]-N-(2-methoxyethyl)-2,3-dihydroindole-2-carboxamide
PubChem CID15858674
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Name(2S)-1-[1-(4-aminophenyl)sulfonylpiperidine-4-carbonyl]-N-(2-methoxyethyl)-2,3-dihydroindole-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C24H30N4O5S/c1-33-15-12-26-23(29)22-16-18-4-2-3-5-21(18)28(22)24(30)17-10-13-27(14-11-17)34(31,32)20-8-6-19(25)7-9-20/h2-9,17,22H,10-16,25H2,1H3,(H,26,29)/t22-/m0/s1
InChIKeyBLWKSJSJTRSTGD-QFIPXVFZSA-N
XLogP1.39
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2S)-1-[1-(4-aminophenyl)sulfonylpiperidine-4-carbonyl]-N-(2-methoxyethyl)-2,3-dihydroindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 6499036
[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 31462088
(2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428990
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982
1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954507
1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 2295277
1-(benzenesulfonyl)-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-4-carboxamide
CID 100646631
(3S)-2-ethylsulfonyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 31700968
1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954374
tert-butyl N-[[1-(4-aminophenyl)sulfonylpiperidin-4-yl]methyl]carbamate
CID 23553541
N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119495455

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(4-aminophenyl)sulfonylpiperidine-4-carbonyl]-N-(2-methoxyethyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[1-(4-aminophenyl)sulfonylpiperidine-4-carbonyl]-N-(2-methoxyethyl)-2,3-dihydroindole-2-carboxamide (CID 15858674) is (2S)-1-[1-(4-aminophenyl)sulfonylpiperidine-4-carbonyl]-N-(2-methoxyethyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[1-(4-aminophenyl)sulfonylpiperidine-4-carbonyl]-N-(2-methoxyethyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[1-(4-aminophenyl)sulfonylpiperidine-4-carbonyl]-N-(2-methoxyethyl)-2,3-dihydroindole-2-carboxamide is COCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of (2S)-1-[1-(4-aminophenyl)sulfonylpiperidine-4-carbonyl]-N-(2-methoxyethyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is BLWKSJSJTRSTGD-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-33-15-12-26-23(29)22-16-18-4-2-3-5-21(18)28(22)24(30)17-10-13-27(14-11-17)34(31,32)20-8-6-19(25)7-9-20/h2-9,17,22H,10-16,25H2,1H3,(H,26,29)/t22-/m0/s1.
What are the key properties of (2S)-1-[1-(4-aminophenyl)sulfonylpiperidine-4-carbonyl]-N-(2-methoxyethyl)-2,3-dihydroindole-2-carboxamide?
(2S)-1-[1-(4-aminophenyl)sulfonylpiperidine-4-carbonyl]-N-(2-methoxyethyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 486.59 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(4-aminophenyl)sulfonylpiperidine-4-carbonyl]-N-(2-methoxyethyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 15858674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).