1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide

C20H32ClN3O4S — CID 3230697

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1
InChIInChI=1S/C20H32ClN3O4S/c1-20(2,14-23(3)4)13-22-19(25)15-8-10-24(11-9-15)29(26,27)18-12-16(21)6-7-17(18)28-5/h6-7,12,15H,8-11,13-14H2,1-5H3,(H,22,25)
InChIKeyWNOASQIZPBKPTP-UHFFFAOYSA-N
MW446.01 g/mol
LogP2.45
Rot. Bonds8

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide

1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide (PubChem CID 3230697) has the molecular formula C20H32ClN3O4S and a molecular weight of 446.01 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
PubChem CID3230697
Molecular FormulaC20H32ClN3O4S
Molecular Weight446.01 g/mol
Exact Mass445.18
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1
InChIInChI=1S/C20H32ClN3O4S/c1-20(2,14-23(3)4)13-22-19(25)15-8-10-24(11-9-15)29(26,27)18-12-16(21)6-7-17(18)28-5/h6-7,12,15H,8-11,13-14H2,1-5H3,(H,22,25)
InChIKeyWNOASQIZPBKPTP-UHFFFAOYSA-N
XLogP2.45
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.01
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 3230694
N-butan-2-yl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113002889
1-(3,4-diethoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55987390
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 2990214
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 6492332
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 3161705
N-(2,5-dichlorophenyl)-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 126326321
1-(4-cyclohexylphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55987264
1-(5-bromothiophen-2-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55332211
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 28551597
1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 3920070
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 55987518

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide (CID 3230697) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide is COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The InChIKey is WNOASQIZPBKPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClN3O4S/c1-20(2,14-23(3)4)13-22-19(25)15-8-10-24(11-9-15)29(26,27)18-12-16(21)6-7-17(18)28-5/h6-7,12,15H,8-11,13-14H2,1-5H3,(H,22,25).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide has a molecular weight of 446.01 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 3230697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).