N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

C23H29N3O3S — CID 92673523

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(NCCCN1CCc2ccccc21)c1ccc(CS(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H29N3O3S/c27-23(24-13-5-14-25-17-12-20-6-1-2-7-22(20)25)21-10-8-19(9-11-21)18-30(28,29)26-15-3-4-16-26/h1-2,6-11H,3-5,12-18H2,(H,24,27)
InChIKeyFLFIROZMXHQAER-UHFFFAOYSA-N
MW427.57 g/mol
LogP2.79
Rot. Bonds8

About N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide (PubChem CID 92673523) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
PubChem CID92673523
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(NCCCN1CCc2ccccc21)c1ccc(CS(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H29N3O3S/c27-23(24-13-5-14-25-17-12-20-6-1-2-7-22(20)25)21-10-8-19(9-11-21)18-30(28,29)26-15-3-4-16-26/h1-2,6-11H,3-5,12-18H2,(H,24,27)
InChIKeyFLFIROZMXHQAER-UHFFFAOYSA-N
XLogP2.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dihydroindol-1-ylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28569389
4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28566921
N-[3-(azepan-1-yl)propyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969584
N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46773623
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide
CID 92684505
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
CID 119851205
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 38464494
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956
N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 53286121
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
(3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92675182
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide
CID 38018400

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide (CID 92673523) is N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide is O=C(NCCCN1CCc2ccccc21)c1ccc(CS(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is FLFIROZMXHQAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c27-23(24-13-5-14-25-17-12-20-6-1-2-7-22(20)25)21-10-8-19(9-11-21)18-30(28,29)26-15-3-4-16-26/h1-2,6-11H,3-5,12-18H2,(H,24,27).
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 427.57 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 92673523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).