N-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C22H27ClN2O5S — CID 46423597

IUPACN-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(C)C)c(Cl)c3)CC2)cc1
InChIInChI=1S/C22H27ClN2O5S/c1-15(2)30-21-9-4-17(14-20(21)23)24-22(26)16-10-12-25(13-11-16)31(27,28)19-7-5-18(29-3)6-8-19/h4-9,14-16H,10-13H2,1-3H3,(H,24,26)
InChIKeyXITOIMOBDLTNDR-UHFFFAOYSA-N
MW466.99 g/mol
LogP4.18
Rot. Bonds7

About N-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

N-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 46423597) has the molecular formula C22H27ClN2O5S and a molecular weight of 466.99 g/mol. Its IUPAC name is N-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID46423597
Molecular FormulaC22H27ClN2O5S
Molecular Weight466.99 g/mol
Exact Mass466.13
IUPAC NameN-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(C)C)c(Cl)c3)CC2)cc1
InChIInChI=1S/C22H27ClN2O5S/c1-15(2)30-21-9-4-17(14-20(21)23)24-22(26)16-10-12-25(13-11-16)31(27,28)19-7-5-18(29-3)6-8-19/h4-9,14-16H,10-13H2,1-3H3,(H,24,26)
InChIKeyXITOIMOBDLTNDR-UHFFFAOYSA-N
XLogP4.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075521
N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2672974
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
N-(3-chloro-4-methoxyphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 2992364
N-(9,10-dioxoanthracen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 16831891
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450
N-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075516
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075592
(3S)-N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 126380777
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4851871
dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 26695275
N-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075573

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 46423597) is N-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(C)C)c(Cl)c3)CC2)cc1.
What is the InChIKey of N-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is XITOIMOBDLTNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O5S/c1-15(2)30-21-9-4-17(14-20(21)23)24-22(26)16-10-12-25(13-11-16)31(27,28)19-7-5-18(29-3)6-8-19/h4-9,14-16H,10-13H2,1-3H3,(H,24,26).
What are the key properties of N-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 466.99 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46423597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).