2-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

C29H31Cl2N3O4S — CID 24945332

IUPAC2-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COCC1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C29H31Cl2N3O4S/c30-26-12-11-25(16-27(26)31)39(36,37)34-24(15-23-5-1-2-6-28(23)34)19-38-20-29(35)32-17-21-7-9-22(10-8-21)18-33-13-3-4-14-33/h1-2,5-12,16,24H,3-4,13-15,17-20H2,(H,32,35)
InChIKeyMUYSWUOSVMZKDP-UHFFFAOYSA-N
MW588.56 g/mol
LogP5.04
Rot. Bonds10

About 2-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

2-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 24945332) has the molecular formula C29H31Cl2N3O4S and a molecular weight of 588.56 g/mol. Its IUPAC name is 2-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID24945332
Molecular FormulaC29H31Cl2N3O4S
Molecular Weight588.56 g/mol
Exact Mass587.14
IUPAC Name2-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COCC1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C29H31Cl2N3O4S/c30-26-12-11-25(16-27(26)31)39(36,37)34-24(15-23-5-1-2-6-28(23)34)19-38-20-29(35)32-17-21-7-9-22(10-8-21)18-33-13-3-4-14-33/h1-2,5-12,16,24H,3-4,13-15,17-20H2,(H,32,35)
InChIKeyMUYSWUOSVMZKDP-UHFFFAOYSA-N
XLogP5.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.56
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide 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

2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 67455259
methyl 1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
CID 66755963
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 67456239
2-chloro-5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 41311671
5-(azepan-1-ylsulfonyl)-2-chloro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767784
2-[[1-(3,4-dichlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methoxy]-1-[4-[1-(4-methylpiperazin-1-yl)-2-phenylethyl]piperidin-1-yl]ethanone
CID 66703452
2-(1,3-benzothiazol-2-ylmethoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24550639
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2599269
2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 55839998
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
CID 56512355
3-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26446820
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1250198

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (CID 24945332) is 2-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is O=C(COCC1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 2-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is MUYSWUOSVMZKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31Cl2N3O4S/c30-26-12-11-25(16-27(26)31)39(36,37)34-24(15-23-5-1-2-6-28(23)34)19-38-20-29(35)32-17-21-7-9-22(10-8-21)18-33-13-3-4-14-33/h1-2,5-12,16,24H,3-4,13-15,17-20H2,(H,32,35).
What are the key properties of 2-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
2-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 588.56 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 24945332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).