1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide

C21H29Cl2N3O4S — CID 55777949

IUPAC1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)N2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C21H29Cl2N3O4S/c1-2-3-11-31(29,30)25-9-6-15(7-10-25)21(28)26-8-4-5-19(26)20(27)24-18-13-16(22)12-17(23)14-18/h12-15,19H,2-11H2,1H3,(H,24,27)
InChIKeyVMXOEFLVNPAWAK-UHFFFAOYSA-N
MW490.45 g/mol
LogP3.76
Rot. Bonds7

About 1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide

1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide (PubChem CID 55777949) has the molecular formula C21H29Cl2N3O4S and a molecular weight of 490.45 g/mol. Its IUPAC name is 1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
PubChem CID55777949
Molecular FormulaC21H29Cl2N3O4S
Molecular Weight490.45 g/mol
Exact Mass489.13
IUPAC Name1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)N2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C21H29Cl2N3O4S/c1-2-3-11-31(29,30)25-9-6-15(7-10-25)21(28)26-8-4-5-19(26)20(27)24-18-13-16(22)12-17(23)14-18/h12-15,19H,2-11H2,1H3,(H,24,27)
InChIKeyVMXOEFLVNPAWAK-UHFFFAOYSA-N
XLogP3.76
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide 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

4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide
CID 55911674
1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 75428768
N-(3,5-dichlorophenyl)-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120623358
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(1-butylsulfonylpiperidin-4-yl)methanone
CID 60611038
N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide
CID 55873784
1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788014
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
1-(1-benzylsulfonylpiperidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55966869
N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide
CID 113007849
1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293621
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 119731279

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide (CID 55777949) is 1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)N2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is VMXOEFLVNPAWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29Cl2N3O4S/c1-2-3-11-31(29,30)25-9-6-15(7-10-25)21(28)26-8-4-5-19(26)20(27)24-18-13-16(22)12-17(23)14-18/h12-15,19H,2-11H2,1H3,(H,24,27).
What are the key properties of 1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide?
1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 490.45 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55777949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).