N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

C27H36N2O4S — CID 100717605

IUPACN-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCCC1(CC)C[C@@H](NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)c2ccccc2O1
InChIInChI=1S/C27H36N2O4S/c1-4-27(5-2)18-24(23-8-6-7-9-25(23)33-27)28-26(30)22-14-16-29(17-15-22)34(31,32)19-21-12-10-20(3)11-13-21/h6-13,22,24H,4-5,14-19H2,1-3H3,(H,28,30)/t24-/m1/s1
InChIKeyACABTFSWFGJASX-XMMPIXPASA-N
MW484.66 g/mol
LogP4.74
Rot. Bonds7

About N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 100717605) has the molecular formula C27H36N2O4S and a molecular weight of 484.66 g/mol. Its IUPAC name is N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID100717605
Molecular FormulaC27H36N2O4S
Molecular Weight484.66 g/mol
Exact Mass484.24
IUPAC NameN-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCCC1(CC)C[C@@H](NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)c2ccccc2O1
InChIInChI=1S/C27H36N2O4S/c1-4-27(5-2)18-24(23-8-6-7-9-25(23)33-27)28-26(30)22-14-16-29(17-15-22)34(31,32)19-21-12-10-20(3)11-13-21/h6-13,22,24H,4-5,14-19H2,1-3H3,(H,28,30)/t24-/m1/s1
InChIKeyACABTFSWFGJASX-XMMPIXPASA-N
XLogP4.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.66
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromophenyl)methylsulfonyl]-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100723976
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
CID 100731205
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 100609810
1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133187450
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide
CID 133256868
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100649231
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775465
(3S)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 125052234
(3S)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 125052232
(3R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100668303
(3R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100668316
1-[(4-methylphenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46265556

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide (CID 100717605) is N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide is CCC1(CC)C[C@@H](NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)c2ccccc2O1.
What is the InChIKey of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is ACABTFSWFGJASX-XMMPIXPASA-N. The full InChI is InChI=1S/C27H36N2O4S/c1-4-27(5-2)18-24(23-8-6-7-9-25(23)33-27)28-26(30)22-14-16-29(17-15-22)34(31,32)19-21-12-10-20(3)11-13-21/h6-13,22,24H,4-5,14-19H2,1-3H3,(H,28,30)/t24-/m1/s1.
What are the key properties of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 484.66 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 100717605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).