(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide

C23H37N3O6S2 — CID 162365381

IUPAC(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCC(OC)CC3)C2)cc1
InChIInChI=1S/C23H37N3O6S2/c1-4-25(5-2)33(28,29)21-12-14-22(15-13-21)34(30,31)26-16-6-7-18(17-26)23(27)24-19-8-10-20(32-3)11-9-19/h12-15,18-20H,4-11,16-17H2,1-3H3,(H,24,27)/t18-,19?,20?/m1/s1
InChIKeyPTIQAATVZUGXSA-XEVCZEQESA-N
MW515.70 g/mol
LogP2.19
Rot. Bonds9

About (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide

(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide (PubChem CID 162365381) has the molecular formula C23H37N3O6S2 and a molecular weight of 515.70 g/mol. Its IUPAC name is (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide
PubChem CID162365381
Molecular FormulaC23H37N3O6S2
Molecular Weight515.70 g/mol
Exact Mass515.21
IUPAC Name(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCC(OC)CC3)C2)cc1
InChIInChI=1S/C23H37N3O6S2/c1-4-25(5-2)33(28,29)21-12-14-22(15-13-21)34(30,31)26-16-6-7-18(17-26)23(27)24-19-8-10-20(32-3)11-9-19/h12-15,18-20H,4-11,16-17H2,1-3H3,(H,24,27)/t18-,19?,20?/m1/s1
InChIKeyPTIQAATVZUGXSA-XEVCZEQESA-N
XLogP2.19
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.70
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(oxetan-3-yl)piperidine-3-carboxamide
CID 162365284
N,N-diethyl-4-[(3R)-3-[(3S)-3-methoxypyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365431
ethyl (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate
CID 1174585
(3R)-N-[(3R)-1-benzoylpyrrolidin-3-yl]-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 162365497
N,N-diethyl-4-[3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 168832180
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
1-(4-methoxyphenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 18089763
(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide
CID 41302436
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
N-cyclopropyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6457392
N,N-diethyl-4-[(3R)-3-(piperazine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365430

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide (CID 162365381) is (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCC(OC)CC3)C2)cc1.
What is the InChIKey of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide?
The InChIKey is PTIQAATVZUGXSA-XEVCZEQESA-N. The full InChI is InChI=1S/C23H37N3O6S2/c1-4-25(5-2)33(28,29)21-12-14-22(15-13-21)34(30,31)26-16-6-7-18(17-26)23(27)24-19-8-10-20(32-3)11-9-19/h12-15,18-20H,4-11,16-17H2,1-3H3,(H,24,27)/t18-,19?,20?/m1/s1.
What are the key properties of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide?
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide has a molecular weight of 515.70 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide is sourced from PubChem (CID 162365381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).