3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide

C26H28N4O4S — CID 142738850

IUPAC3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)c2)c1
InChIInChI=1S/C26H28N4O4S/c27-25(31)20-8-4-10-23(16-20)28-26(32)21-9-5-11-24(17-21)35(33,34)29-22-12-14-30(15-13-22)18-19-6-2-1-3-7-19/h1-11,16-17,22,29H,12-15,18H2,(H2,27,31)(H,28,32)
InChIKeyPHHSNVLSBDLXLY-UHFFFAOYSA-N
MW492.60 g/mol
LogP2.98
Rot. Bonds8

About 3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide

3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide (PubChem CID 142738850) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is 3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide
PubChem CID142738850
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC Name3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)c2)c1
InChIInChI=1S/C26H28N4O4S/c27-25(31)20-8-4-10-23(16-20)28-26(32)21-9-5-11-24(17-21)35(33,34)29-22-12-14-30(15-13-22)18-19-6-2-1-3-7-19/h1-11,16-17,22,29H,12-15,18H2,(H2,27,31)(H,28,32)
InChIKeyPHHSNVLSBDLXLY-UHFFFAOYSA-N
XLogP2.98
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide
CID 29206704
3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593
3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]sulfamoyl]-N-prop-2-enylbenzamide
CID 55903024
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
3-N-(1-benzylpyrrolidin-3-yl)benzene-1,3-disulfonamide
CID 55512031
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
CID 30858539
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide?
The IUPAC name of 3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide (CID 142738850) is 3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide.
What is the SMILES notation for 3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide?
The canonical SMILES for 3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide is NC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)c2)c1.
What is the InChIKey of 3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide?
The InChIKey is PHHSNVLSBDLXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c27-25(31)20-8-4-10-23(16-20)28-26(32)21-9-5-11-24(17-21)35(33,34)29-22-12-14-30(15-13-22)18-19-6-2-1-3-7-19/h1-11,16-17,22,29H,12-15,18H2,(H2,27,31)(H,28,32).
What are the key properties of 3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide?
3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide has a molecular weight of 492.60 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide is sourced from PubChem (CID 142738850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).