N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C24H30N2O4S — CID 100649231

IUPACN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC2)cc1
InChIInChI=1S/C24H30N2O4S/c1-17-8-10-19(11-9-17)31(28,29)26-14-12-18(13-15-26)23(27)25-21-16-24(2,3)30-22-7-5-4-6-20(21)22/h4-11,18,21H,12-16H2,1-3H3,(H,25,27)/t21-/m1/s1
InChIKeyKYWMYDNNQVBHLF-OAQYLSRUSA-N
MW442.58 g/mol
LogP3.81
Rot. Bonds4

About N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 100649231) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID100649231
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC NameN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC2)cc1
InChIInChI=1S/C24H30N2O4S/c1-17-8-10-19(11-9-17)31(28,29)26-14-12-18(13-15-26)23(27)25-21-16-24(2,3)30-22-7-5-4-6-20(21)22/h4-11,18,21H,12-16H2,1-3H3,(H,25,27)/t21-/m1/s1
InChIKeyKYWMYDNNQVBHLF-OAQYLSRUSA-N
XLogP3.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100652563
1-(4-methylphenyl)sulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133167095
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100656440
1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100646232
1-(4-fluorophenyl)sulfonyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133167136
1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100656880
1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100656849
1-(4-methoxyphenyl)sulfonyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133167702
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775465
1-(benzenesulfonyl)-N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100646285
1-(dimethylsulfamoyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 53278094
(3S)-1-(4-methylphenyl)sulfonyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]piperidine-3-carboxamide
CID 125077452

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 100649231) is N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC2)cc1.
What is the InChIKey of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KYWMYDNNQVBHLF-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-17-8-10-19(11-9-17)31(28,29)26-14-12-18(13-15-26)23(27)25-21-16-24(2,3)30-22-7-5-4-6-20(21)22/h4-11,18,21H,12-16H2,1-3H3,(H,25,27)/t21-/m1/s1.
What are the key properties of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 442.58 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 100649231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).