1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide

C25H32N2O5S — CID 100656880

About 1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide (PubChem CID 100656880) has the molecular formula C25H32N2O5S and a molecular weight of 472.61 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
• PubChem CID: 100656880
• Molecular Formula: C25H32N2O5S
• Molecular Weight: 472.61 g/mol
• Exact Mass: 472.20
• IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
• SMILES: COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CC(C)(C)Oc4cc(C)ccc43)CC2)cc1
• InChI: InChI=1S/C25H32N2O5S/c1-17-5-10-21-22(16-25(2,3)32-23(21)15-17)26-24(28)18-11-13-27(14-12-18)33(29,30)20-8-6-19(31-4)7-9-20/h5-10,15,18,22H,11-14,16H2,1-4H3,(H,26,28)/t22-/m0/s1
• InChIKey: LMOXLPUJKANTBZ-QFIPXVFZSA-N
• XLogP: 3.82
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.61
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?

The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide (CID 100656880) is 1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CC(C)(C)Oc4cc(C)ccc43)CC2)cc1.

What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?

The InChIKey is LMOXLPUJKANTBZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H32N2O5S/c1-17-5-10-21-22(16-25(2,3)32-23(21)15-17)26-24(28)18-11-13-27(14-12-18)33(29,30)20-8-6-19(31-4)7-9-20/h5-10,15,18,22H,11-14,16H2,1-4H3,(H,26,28)/t22-/m0/s1.

What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?

1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 100656880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).