(2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide

C23H34ClN3O4S — CID 124886281

IUPAC(2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide
SMILESO=C(NC1CCN(CC2CCCCC2)CC1)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1
InChIInChI=1S/C23H34ClN3O4S/c24-20-8-4-5-9-22(20)32(29,30)27-14-15-31-21(17-27)23(28)25-19-10-12-26(13-11-19)16-18-6-2-1-3-7-18/h4-5,8-9,18-19,21H,1-3,6-7,10-17H2,(H,25,28)/t21-/m1/s1
InChIKeyMRAAYLXZVAVKDD-OAQYLSRUSA-N
MW484.06 g/mol
LogP2.89
Rot. Bonds6

About (2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide

(2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide (PubChem CID 124886281) has the molecular formula C23H34ClN3O4S and a molecular weight of 484.06 g/mol. Its IUPAC name is (2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide
PubChem CID124886281
Molecular FormulaC23H34ClN3O4S
Molecular Weight484.06 g/mol
Exact Mass483.20
IUPAC Name(2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide
SMILESO=C(NC1CCN(CC2CCCCC2)CC1)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1
InChIInChI=1S/C23H34ClN3O4S/c24-20-8-4-5-9-22(20)32(29,30)27-14-15-31-21(17-27)23(28)25-19-10-12-26(13-11-19)16-18-6-2-1-3-7-18/h4-5,8-9,18-19,21H,1-3,6-7,10-17H2,(H,25,28)/t21-/m1/s1
InChIKeyMRAAYLXZVAVKDD-OAQYLSRUSA-N
XLogP2.89
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.06
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide
CID 124743243
N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]ethyl]cyclooctanecarboxamide
CID 173136747
N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]ethyl]cyclooctanecarboxamide;methane
CID 173136746
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylacetamide
CID 32717261
(2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide
CID 124886647
4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one
CID 124887641
1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide
CID 175667701
2-[[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67100048
[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
CID 124725255
[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119969009
3-(chloromethyl)-1-(2-chlorophenyl)sulfonylpyrrolidine
CID 63400465
N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68873987

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide (CID 124886281) is (2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide is O=C(NC1CCN(CC2CCCCC2)CC1)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1.
What is the InChIKey of (2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide?
The InChIKey is MRAAYLXZVAVKDD-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H34ClN3O4S/c24-20-8-4-5-9-22(20)32(29,30)27-14-15-31-21(17-27)23(28)25-19-10-12-26(13-11-19)16-18-6-2-1-3-7-18/h4-5,8-9,18-19,21H,1-3,6-7,10-17H2,(H,25,28)/t21-/m1/s1.
What are the key properties of (2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide?
(2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide has a molecular weight of 484.06 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide is sourced from PubChem (CID 124886281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).