N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide

C23H29N3O4S — CID 4008711

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCCCC1
InChIInChI=1S/C23H29N3O4S/c1-30-21-11-4-3-10-19(21)25-31(28,29)22-16-18(24-23(27)17-8-7-9-17)12-13-20(22)26-14-5-2-6-15-26/h3-4,10-13,16-17,25H,2,5-9,14-15H2,1H3,(H,24,27)
InChIKeyJKAOSURBHKRRBA-UHFFFAOYSA-N
MW443.57 g/mol
LogP4.22
Rot. Bonds7

About N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide (PubChem CID 4008711) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide
PubChem CID4008711
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCCCC1
InChIInChI=1S/C23H29N3O4S/c1-30-21-11-4-3-10-19(21)25-31(28,29)22-16-18(24-23(27)17-8-7-9-17)12-13-20(22)26-14-5-2-6-15-26/h3-4,10-13,16-17,25H,2,5-9,14-15H2,1H3,(H,24,27)
InChIKeyJKAOSURBHKRRBA-UHFFFAOYSA-N
XLogP4.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]cyclopentanecarboxamide
CID 4837031
2,4,5-trimethoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide
CID 3359599
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 5040459
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-1,3-benzodioxole-5-carboxamide
CID 4845849
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 3438508
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 9414168
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]propanamide
CID 98405272
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]propanamide
CID 98405271
1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 4834845
cis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide
CID 25349683
3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 4849688
2-(3-hydroxypiperidin-1-yl)-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 18281229

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide (CID 4008711) is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCCCC1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide?
The InChIKey is JKAOSURBHKRRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-30-21-11-4-3-10-19(21)25-31(28,29)22-16-18(24-23(27)17-8-7-9-17)12-13-20(22)26-14-5-2-6-15-26/h3-4,10-13,16-17,25H,2,5-9,14-15H2,1H3,(H,24,27).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide has a molecular weight of 443.57 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide is sourced from PubChem (CID 4008711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).