N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide

C18H26Cl2N2O3S — CID 60607475

IUPACN-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H26Cl2N2O3S/c1-4-10-26(24,25)22-9-5-6-16(22)17(23)21-12-18(2,3)13-7-8-14(19)15(20)11-13/h7-8,11,16H,4-6,9-10,12H2,1-3H3,(H,21,23)
InChIKeyAMXYUBQIJAXEOT-UHFFFAOYSA-N
MW421.39 g/mol
LogP3.59
Rot. Bonds7

About N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide

N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 60607475) has the molecular formula C18H26Cl2N2O3S and a molecular weight of 421.39 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID60607475
Molecular FormulaC18H26Cl2N2O3S
Molecular Weight421.39 g/mol
Exact Mass420.10
IUPAC NameN-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H26Cl2N2O3S/c1-4-10-26(24,25)22-9-5-6-16(22)17(23)21-12-18(2,3)13-7-8-14(19)15(20)11-13/h7-8,11,16H,4-6,9-10,12H2,1-3H3,(H,21,23)
InChIKeyAMXYUBQIJAXEOT-UHFFFAOYSA-N
XLogP3.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 126794993
2-hydroxy-2-methyl-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 66171979
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240584
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 56581849
N'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide
CID 45353186
ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate
CID 60811787
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119383139
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119383138
N-[[4-(dimethylamino)phenyl]methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241350
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
CID 119311595
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 126770196
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide (CID 60607475) is N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is AMXYUBQIJAXEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O3S/c1-4-10-26(24,25)22-9-5-6-16(22)17(23)21-12-18(2,3)13-7-8-14(19)15(20)11-13/h7-8,11,16H,4-6,9-10,12H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 421.39 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60607475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).