N-(4-methoxy-3-sulfamoylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

C22H29N3O6S2 — CID 4849187

IUPACN-(4-methoxy-3-sulfamoylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1S(N)(=O)=O
InChIInChI=1S/C22H29N3O6S2/c1-15(2)16-4-7-19(8-5-16)33(29,30)25-12-10-17(11-13-25)22(26)24-18-6-9-20(31-3)21(14-18)32(23,27)28/h4-9,14-15,17H,10-13H2,1-3H3,(H,24,26)(H2,23,27,28)
InChIKeyZLLDSHWMQKCYSC-UHFFFAOYSA-N
MW495.62 g/mol
LogP2.51
Rot. Bonds7

About N-(4-methoxy-3-sulfamoylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

N-(4-methoxy-3-sulfamoylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 4849187) has the molecular formula C22H29N3O6S2 and a molecular weight of 495.62 g/mol. Its IUPAC name is N-(4-methoxy-3-sulfamoylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-sulfamoylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID4849187
Molecular FormulaC22H29N3O6S2
Molecular Weight495.62 g/mol
Exact Mass495.15
IUPAC NameN-(4-methoxy-3-sulfamoylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1S(N)(=O)=O
InChIInChI=1S/C22H29N3O6S2/c1-15(2)16-4-7-19(8-5-16)33(29,30)25-12-10-17(11-13-25)22(26)24-18-6-9-20(31-3)21(14-18)32(23,27)28/h4-9,14-15,17H,10-13H2,1-3H3,(H,24,26)(H2,23,27,28)
InChIKeyZLLDSHWMQKCYSC-UHFFFAOYSA-N
XLogP2.51
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075521
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
N-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 46423597
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4851871
N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915615
N-[4-(difluoromethoxy)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894793
1-(2,5-dimethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]piperidine-4-carboxamide
CID 99967724
N-(3-chloro-4-methoxyphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 2992364
1-(3,4-dimethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 1088318
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088320
N-(4-acetamidophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2941914
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55837185

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-sulfamoylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-methoxy-3-sulfamoylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (CID 4849187) is N-(4-methoxy-3-sulfamoylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-sulfamoylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxy-3-sulfamoylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methoxy-3-sulfamoylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is ZLLDSHWMQKCYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S2/c1-15(2)16-4-7-19(8-5-16)33(29,30)25-12-10-17(11-13-25)22(26)24-18-6-9-20(31-3)21(14-18)32(23,27)28/h4-9,14-15,17H,10-13H2,1-3H3,(H,24,26)(H2,23,27,28).
What are the key properties of N-(4-methoxy-3-sulfamoylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
N-(4-methoxy-3-sulfamoylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 495.62 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-sulfamoylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4849187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).