(3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide

C23H28N2O4S — CID 125072549

IUPAC(3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
SMILESCOc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C23H28N2O4S/c1-29-19-12-13-21-17(15-19)7-5-11-22(21)24-23(26)18-8-6-14-25(16-18)30(27,28)20-9-3-2-4-10-20/h2-4,9-10,12-13,15,18,22H,5-8,11,14,16H2,1H3,(H,24,26)/t18-,22-/m0/s1
InChIKeyFQYQUBCFPJFGEW-AVRDEDQJSA-N
MW428.55 g/mol
LogP3.29
Rot. Bonds5

About (3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide

(3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide (PubChem CID 125072549) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is (3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
PubChem CID125072549
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name(3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
SMILESCOc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C23H28N2O4S/c1-29-19-12-13-21-17(15-19)7-5-11-22(21)24-23(26)18-8-6-14-25(16-18)30(27,28)20-9-3-2-4-10-20/h2-4,9-10,12-13,15,18,22H,5-8,11,14,16H2,1H3,(H,24,26)/t18-,22-/m0/s1
InChIKeyFQYQUBCFPJFGEW-AVRDEDQJSA-N
XLogP3.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 133189561
(3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118366
(3S)-1-(benzenesulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 35763626
1-(4-methoxyphenyl)sulfonyl-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 100657012
(3R)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpiperidine-3-carboxamide
CID 99970575
1-(4-fluorophenyl)sulfonyl-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 100653363
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 93302727
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpiperidine-4-carboxamide
CID 95706262
(3S)-1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 7379045
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
(3S)-N-cyclohexyl-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11531019
(3S)-N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125074618

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide (CID 125072549) is (3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide is COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide?
The InChIKey is FQYQUBCFPJFGEW-AVRDEDQJSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-29-19-12-13-21-17(15-19)7-5-11-22(21)24-23(26)18-8-6-14-25(16-18)30(27,28)20-9-3-2-4-10-20/h2-4,9-10,12-13,15,18,22H,5-8,11,14,16H2,1H3,(H,24,26)/t18-,22-/m0/s1.
What are the key properties of (3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide?
(3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide has a molecular weight of 428.55 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide is sourced from PubChem (CID 125072549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).