N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide

C23H28N2O4S — CID 24668842

IUPACN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(=O)C3(c4ccccc4)CCC3)CC2)cc1
InChIInChI=1S/C23H28N2O4S/c1-29-20-8-10-21(11-9-20)30(27,28)25-16-12-19(13-17-25)24-22(26)23(14-5-15-23)18-6-3-2-4-7-18/h2-4,6-11,19H,5,12-17H2,1H3,(H,24,26)
InChIKeyUDULWIDXVZUTSV-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.09
Rot. Bonds6

About N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide

N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 24668842) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
PubChem CID24668842
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(=O)C3(c4ccccc4)CCC3)CC2)cc1
InChIInChI=1S/C23H28N2O4S/c1-29-20-8-10-21(11-9-20)30(27,28)25-16-12-19(13-17-25)24-22(26)23(14-5-15-23)18-6-3-2-4-7-18/h2-4,6-11,19H,5,12-17H2,1H3,(H,24,26)
InChIKeyUDULWIDXVZUTSV-UHFFFAOYSA-N
XLogP3.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 26203857
N-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 74233149
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 24611994
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-sulfanylbenzamide
CID 108561601
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 55962295
N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198451
(3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine
CID 52872809
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 55979347
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol
CID 25192455

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide (CID 24668842) is N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide is COc1ccc(S(=O)(=O)N2CCC(NC(=O)C3(c4ccccc4)CCC3)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is UDULWIDXVZUTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-29-20-8-10-21(11-9-20)30(27,28)25-16-12-19(13-17-25)24-22(26)23(14-5-15-23)18-6-3-2-4-7-18/h2-4,6-11,19H,5,12-17H2,1H3,(H,24,26).
What are the key properties of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide?
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 428.55 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 24668842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).