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

C23H27FN2O4S — CID 100652563

IUPACN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCC1(C)C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc2O1
InChIInChI=1S/C23H27FN2O4S/c1-23(2)15-20(19-5-3-4-6-21(19)30-23)25-22(27)16-11-13-26(14-12-16)31(28,29)18-9-7-17(24)8-10-18/h3-10,16,20H,11-15H2,1-2H3,(H,25,27)/t20-/m1/s1
InChIKeyIXNVPILUZSAWRO-HXUWFJFHSA-N
MW446.54 g/mol
LogP3.64
Rot. Bonds4

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

N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 100652563) has the molecular formula C23H27FN2O4S and a molecular weight of 446.54 g/mol. Its IUPAC name is N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID100652563
Molecular FormulaC23H27FN2O4S
Molecular Weight446.54 g/mol
Exact Mass446.17
IUPAC NameN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCC1(C)C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc2O1
InChIInChI=1S/C23H27FN2O4S/c1-23(2)15-20(19-5-3-4-6-21(19)30-23)25-22(27)16-11-13-26(14-12-16)31(28,29)18-9-7-17(24)8-10-18/h3-10,16,20H,11-15H2,1-2H3,(H,25,27)/t20-/m1/s1
InChIKeyIXNVPILUZSAWRO-HXUWFJFHSA-N
XLogP3.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 53.64
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-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100649231
1-(4-fluorophenyl)sulfonyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133167136
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100656440
1-(4-methylphenyl)sulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133167095
1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100646232
1-(benzenesulfonyl)-N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100646285
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 100671166
1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100656880
(3R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100668303
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
(3R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100668316

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 100652563) is N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is CC1(C)C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc2O1.
What is the InChIKey of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is IXNVPILUZSAWRO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27FN2O4S/c1-23(2)15-20(19-5-3-4-6-21(19)30-23)25-22(27)16-11-13-26(14-12-16)31(28,29)18-9-7-17(24)8-10-18/h3-10,16,20H,11-15H2,1-2H3,(H,25,27)/t20-/m1/s1.
What are the key properties of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 446.54 g/mol, XLogP of 3.64, 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-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 100652563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).