1-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide

C27H37N3O4S — CID 27362970

IUPAC1-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
SMILESCc1ccc([C@H](CN2CCOCC2)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C27H37N3O4S/c1-20-4-7-23(8-5-20)25(19-29-14-16-34-17-15-29)28-27(31)24-10-12-30(13-11-24)35(32,33)26-9-6-21(2)18-22(26)3/h4-9,18,24-25H,10-17,19H2,1-3H3,(H,28,31)/t25-/m0/s1
InChIKeyVZGVMVZRYAYUBR-VWLOTQADSA-N
MW499.68 g/mol
LogP3.20
Rot. Bonds7

About 1-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide

1-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide (PubChem CID 27362970) has the molecular formula C27H37N3O4S and a molecular weight of 499.68 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
PubChem CID27362970
Molecular FormulaC27H37N3O4S
Molecular Weight499.68 g/mol
Exact Mass499.25
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
SMILESCc1ccc([C@H](CN2CCOCC2)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C27H37N3O4S/c1-20-4-7-23(8-5-20)25(19-29-14-16-34-17-15-29)28-27(31)24-10-12-30(13-11-24)35(32,33)26-9-6-21(2)18-22(26)3/h4-9,18,24-25H,10-17,19H2,1-3H3,(H,28,31)/t25-/m0/s1
InChIKeyVZGVMVZRYAYUBR-VWLOTQADSA-N
XLogP3.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide (CID 27362970) is 1-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide is Cc1ccc([C@H](CN2CCOCC2)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide?
The InChIKey is VZGVMVZRYAYUBR-VWLOTQADSA-N. The full InChI is InChI=1S/C27H37N3O4S/c1-20-4-7-23(8-5-20)25(19-29-14-16-34-17-15-29)28-27(31)24-10-12-30(13-11-24)35(32,33)26-9-6-21(2)18-22(26)3/h4-9,18,24-25H,10-17,19H2,1-3H3,(H,28,31)/t25-/m0/s1.
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide?
1-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide has a molecular weight of 499.68 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 27362970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).