N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide

C22H27N3O4S — CID 31009310

IUPACN-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H27N3O4S/c26-21(13-8-14-23-22(27)18-9-3-1-4-10-18)24-19-11-7-12-20(17-19)30(28,29)25-15-5-2-6-16-25/h1,3-4,7,9-12,17H,2,5-6,8,13-16H2,(H,23,27)(H,24,26)
InChIKeyLEPDRXUMRQTQPP-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.01
Rot. Bonds8

About N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide

N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide (PubChem CID 31009310) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide.

Molecular Properties

Compound NameN-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide
PubChem CID31009310
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H27N3O4S/c26-21(13-8-14-23-22(27)18-9-3-1-4-10-18)24-19-11-7-12-20(17-19)30(28,29)25-15-5-2-6-16-25/h1,3-4,7,9-12,17H,2,5-6,8,13-16H2,(H,23,27)(H,24,26)
InChIKeyLEPDRXUMRQTQPP-UHFFFAOYSA-N
XLogP3.01
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 8874279
N-[4-(4-chloro-3-pyrrolidin-1-ylsulfonylanilino)-4-oxobutyl]benzamide
CID 55364568
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688937
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 31009302
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 30668165
4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide
CID 55624016
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 55604794

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide?
The IUPAC name of N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide (CID 31009310) is N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide.
What is the SMILES notation for N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide?
The canonical SMILES for N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide is O=C(CCCNC(=O)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide?
The InChIKey is LEPDRXUMRQTQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c26-21(13-8-14-23-22(27)18-9-3-1-4-10-18)24-19-11-7-12-20(17-19)30(28,29)25-15-5-2-6-16-25/h1,3-4,7,9-12,17H,2,5-6,8,13-16H2,(H,23,27)(H,24,26).
What are the key properties of N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide?
N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide has a molecular weight of 429.54 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide is sourced from PubChem (CID 31009310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).