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

C24H30N2O5S — CID 100656440

IUPACN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC2)cc1
InChIInChI=1S/C24H30N2O5S/c1-24(2)16-21(20-6-4-5-7-22(20)31-24)25-23(27)17-12-14-26(15-13-17)32(28,29)19-10-8-18(30-3)9-11-19/h4-11,17,21H,12-16H2,1-3H3,(H,25,27)/t21-/m1/s1
InChIKeyHJWJMZHTLXSBPQ-OAQYLSRUSA-N
MW458.58 g/mol
LogP3.51
Rot. Bonds5

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

N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 100656440) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID100656440
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC NameN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC2)cc1
InChIInChI=1S/C24H30N2O5S/c1-24(2)16-21(20-6-4-5-7-22(20)31-24)25-23(27)17-12-14-26(15-13-17)32(28,29)19-10-8-18(30-3)9-11-19/h4-11,17,21H,12-16H2,1-3H3,(H,25,27)/t21-/m1/s1
InChIKeyHJWJMZHTLXSBPQ-OAQYLSRUSA-N
XLogP3.51
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100649231
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
1-(benzenesulfonyl)-N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100646285
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
1-ethylsulfonyl-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 132663641
1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100646232
(3S)-N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125074618
1-(4-fluorophenyl)sulfonyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133167136
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 100676288

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 100656440) is N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(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-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is HJWJMZHTLXSBPQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-24(2)16-21(20-6-4-5-7-22(20)31-24)25-23(27)17-12-14-26(15-13-17)32(28,29)19-10-8-18(30-3)9-11-19/h4-11,17,21H,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-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 458.58 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 100656440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).