2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-(2-phenyl-1-pyrrolidin-1-ylethyl)propanamide

C25H35N3O5S — CID 91196172

IUPAC2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-(2-phenyl-1-pyrrolidin-1-ylethyl)propanamide
SMILESCOc1cc(C(C)C(=O)NC(Cc2ccccc2)N2CCCC2)c(S(=O)(=O)N(C)C)cc1OC
InChIInChI=1S/C25H35N3O5S/c1-18(20-16-21(32-4)22(33-5)17-23(20)34(30,31)27(2)3)25(29)26-24(28-13-9-10-14-28)15-19-11-7-6-8-12-19/h6-8,11-12,16-18,24H,9-10,13-15H2,1-5H3,(H,26,29)
InChIKeyAZYRACAVVCDSDC-UHFFFAOYSA-N
MW489.64 g/mol
LogP2.84
Rot. Bonds10

About 2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-(2-phenyl-1-pyrrolidin-1-ylethyl)propanamide

2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-(2-phenyl-1-pyrrolidin-1-ylethyl)propanamide (PubChem CID 91196172) has the molecular formula C25H35N3O5S and a molecular weight of 489.64 g/mol. Its IUPAC name is 2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-(2-phenyl-1-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-(2-phenyl-1-pyrrolidin-1-ylethyl)propanamide
PubChem CID91196172
Molecular FormulaC25H35N3O5S
Molecular Weight489.64 g/mol
Exact Mass489.23
IUPAC Name2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-(2-phenyl-1-pyrrolidin-1-ylethyl)propanamide
SMILESCOc1cc(C(C)C(=O)NC(Cc2ccccc2)N2CCCC2)c(S(=O)(=O)N(C)C)cc1OC
InChIInChI=1S/C25H35N3O5S/c1-18(20-16-21(32-4)22(33-5)17-23(20)34(30,31)27(2)3)25(29)26-24(28-13-9-10-14-28)15-19-11-7-6-8-12-19/h6-8,11-12,16-18,24H,9-10,13-15H2,1-5H3,(H,26,29)
InChIKeyAZYRACAVVCDSDC-UHFFFAOYSA-N
XLogP2.84
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4,5-dimethoxy-2-(morpholin-4-ylsulfamoyl)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 90869385
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870729
4-methoxy-N-methyl-N-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
CID 51066218
2-pyrrolidin-1-yl-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 43803535
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 51904194
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide
CID 115665268
2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 86918659
2-methoxy-5-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 43888990
3-[[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methyl]benzoic acid
CID 122030009
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 55589275

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-(2-phenyl-1-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-(2-phenyl-1-pyrrolidin-1-ylethyl)propanamide (CID 91196172) is 2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-(2-phenyl-1-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-(2-phenyl-1-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-(2-phenyl-1-pyrrolidin-1-ylethyl)propanamide is COc1cc(C(C)C(=O)NC(Cc2ccccc2)N2CCCC2)c(S(=O)(=O)N(C)C)cc1OC.
What is the InChIKey of 2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-(2-phenyl-1-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is AZYRACAVVCDSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O5S/c1-18(20-16-21(32-4)22(33-5)17-23(20)34(30,31)27(2)3)25(29)26-24(28-13-9-10-14-28)15-19-11-7-6-8-12-19/h6-8,11-12,16-18,24H,9-10,13-15H2,1-5H3,(H,26,29).
What are the key properties of 2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-(2-phenyl-1-pyrrolidin-1-ylethyl)propanamide?
2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-(2-phenyl-1-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 489.64 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-(2-phenyl-1-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 91196172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).