1-(4-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide

C18H28N2O4S — CID 3153025

IUPAC1-(4-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCC(C)C)C2)cc1
InChIInChI=1S/C18H28N2O4S/c1-14(2)10-11-19-18(21)15-5-4-12-20(13-15)25(22,23)17-8-6-16(24-3)7-9-17/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,19,21)
InChIKeyMVSPVPCXKDPSEM-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.26
Rot. Bonds7

About 1-(4-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide (PubChem CID 3153025) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide
PubChem CID3153025
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCC(C)C)C2)cc1
InChIInChI=1S/C18H28N2O4S/c1-14(2)10-11-19-18(21)15-5-4-12-20(13-15)25(22,23)17-8-6-16(24-3)7-9-17/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,19,21)
InChIKeyMVSPVPCXKDPSEM-UHFFFAOYSA-N
XLogP2.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide (CID 3153025) is 1-(4-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCC(C)C)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide?
The InChIKey is MVSPVPCXKDPSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-14(2)10-11-19-18(21)15-5-4-12-20(13-15)25(22,23)17-8-6-16(24-3)7-9-17/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,19,21).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 3153025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).