N-ethyl-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide

C23H30N2O4S — CID 71737602

IUPACN-ethyl-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H](C)c1ccccc1
InChIInChI=1S/C23H30N2O4S/c1-4-25(18(2)19-8-6-5-7-9-19)23(26)20-14-16-24(17-15-20)30(27,28)22-12-10-21(29-3)11-13-22/h5-13,18,20H,4,14-17H2,1-3H3/t18-/m1/s1
InChIKeyMLQXJNDTTQMAHA-GOSISDBHSA-N
MW430.57 g/mol
LogP3.71
Rot. Bonds7

About N-ethyl-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide

N-ethyl-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 71737602) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
PubChem CID71737602
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-ethyl-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H](C)c1ccccc1
InChIInChI=1S/C23H30N2O4S/c1-4-25(18(2)19-8-6-5-7-9-19)23(26)20-14-16-24(17-15-20)30(27,28)22-12-10-21(29-3)11-13-22/h5-13,18,20H,4,14-17H2,1-3H3/t18-/m1/s1
InChIKeyMLQXJNDTTQMAHA-GOSISDBHSA-N
XLogP3.71
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide (CID 71737602) is N-ethyl-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide is CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H](C)c1ccccc1.
What is the InChIKey of N-ethyl-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
The InChIKey is MLQXJNDTTQMAHA-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-4-25(18(2)19-8-6-5-7-9-19)23(26)20-14-16-24(17-15-20)30(27,28)22-12-10-21(29-3)11-13-22/h5-13,18,20H,4,14-17H2,1-3H3/t18-/m1/s1.
What are the key properties of N-ethyl-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
N-ethyl-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 71737602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).