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

C30H36N4O6S2 — CID 5040459

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1N1CCCCC1
InChIInChI=1S/C30H36N4O6S2/c1-40-28-14-5-4-13-26(28)32-41(36,37)29-22-24(15-16-27(29)33-17-6-2-7-18-33)31-30(35)23-11-10-12-25(21-23)42(38,39)34-19-8-3-9-20-34/h4-5,10-16,21-22,32H,2-3,6-9,17-20H2,1H3,(H,31,35)
InChIKeyOSDSJXMWNRLFAT-UHFFFAOYSA-N
MW612.77 g/mol
LogP4.91
Rot. Bonds9

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

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 5040459) has the molecular formula C30H36N4O6S2 and a molecular weight of 612.77 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID5040459
Molecular FormulaC30H36N4O6S2
Molecular Weight612.77 g/mol
Exact Mass612.21
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1N1CCCCC1
InChIInChI=1S/C30H36N4O6S2/c1-40-28-14-5-4-13-26(28)32-41(36,37)29-22-24(15-16-27(29)33-17-6-2-7-18-33)31-30(35)23-11-10-12-25(21-23)42(38,39)34-19-8-3-9-20-34/h4-5,10-16,21-22,32H,2-3,6-9,17-20H2,1H3,(H,31,35)
InChIKeyOSDSJXMWNRLFAT-UHFFFAOYSA-N
XLogP4.91
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.77
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 4849688
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-1,3-benzodioxole-5-carboxamide
CID 4845849
2,4,5-trimethoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide
CID 3359599
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide
CID 4008711
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 3438508
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 98391352
3-(azepan-1-ylsulfonyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 9098514
N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 17482508
3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46771385
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide
CID 26848789

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide (CID 5040459) is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1N1CCCCC1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is OSDSJXMWNRLFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O6S2/c1-40-28-14-5-4-13-26(28)32-41(36,37)29-22-24(15-16-27(29)33-17-6-2-7-18-33)31-30(35)23-11-10-12-25(21-23)42(38,39)34-19-8-3-9-20-34/h4-5,10-16,21-22,32H,2-3,6-9,17-20H2,1H3,(H,31,35).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 612.77 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 5040459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).