3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide

C26H35N3O4S — CID 125048979

IUPAC3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCCN1c2ccccc2C[C@H]1C
InChIInChI=1S/C26H35N3O4S/c1-20-18-21-8-3-4-9-24(21)29(20)17-7-14-27-26(30)13-10-22-19-23(11-12-25(22)33-2)34(31,32)28-15-5-6-16-28/h3-4,8-9,11-12,19-20H,5-7,10,13-18H2,1-2H3,(H,27,30)/t20-/m1/s1
InChIKeyFQZNXYNNDKRHMS-HXUWFJFHSA-N
MW485.65 g/mol
LogP3.37
Rot. Bonds10

About 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide

3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide (PubChem CID 125048979) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide
PubChem CID125048979
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC Name3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCCN1c2ccccc2C[C@H]1C
InChIInChI=1S/C26H35N3O4S/c1-20-18-21-8-3-4-9-24(21)29(20)17-7-14-27-26(30)13-10-22-19-23(11-12-25(22)33-2)34(31,32)28-15-5-6-16-28/h3-4,8-9,11-12,19-20H,5-7,10,13-18H2,1-2H3,(H,27,30)/t20-/m1/s1
InChIKeyFQZNXYNNDKRHMS-HXUWFJFHSA-N
XLogP3.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 133199873
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 133265295
N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100541707
1-(benzenesulfonyl)-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-4-carboxamide
CID 100646631
2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 40797160
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide
CID 100730114
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(2-methylphenyl)propanamide
CID 100747000
(3S)-1-(4-chlorophenyl)sulfonyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-3-carboxamide
CID 125059122
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 100564145
N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100511227
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-pentan-3-ylpropanamide
CID 100725262
N-(2,4-dimethoxyphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100718511

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide?
The IUPAC name of 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide (CID 125048979) is 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide.
What is the SMILES notation for 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide?
The canonical SMILES for 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide is COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCCN1c2ccccc2C[C@H]1C.
What is the InChIKey of 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide?
The InChIKey is FQZNXYNNDKRHMS-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-20-18-21-8-3-4-9-24(21)29(20)17-7-14-27-26(30)13-10-22-19-23(11-12-25(22)33-2)34(31,32)28-15-5-6-16-28/h3-4,8-9,11-12,19-20H,5-7,10,13-18H2,1-2H3,(H,27,30)/t20-/m1/s1.
What are the key properties of 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide?
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide has a molecular weight of 485.65 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide is sourced from PubChem (CID 125048979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).