3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide

C26H29N3O3S — CID 25362186

IUPAC3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
SMILESC[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1)c1ccccc1
InChIInChI=1S/C26H29N3O3S/c1-20(21-9-4-2-5-10-21)28-33(31,32)25-12-8-11-22(19-25)26(30)27-23-13-15-24(16-14-23)29-17-6-3-7-18-29/h2,4-5,8-16,19-20,28H,3,6-7,17-18H2,1H3,(H,27,30)/t20-/m0/s1
InChIKeyLZRBPHPLIXYJCV-FQEVSTJZSA-N
MW463.60 g/mol
LogP4.97
Rot. Bonds7

About 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide

3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide (PubChem CID 25362186) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
PubChem CID25362186
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
SMILESC[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1)c1ccccc1
InChIInChI=1S/C26H29N3O3S/c1-20(21-9-4-2-5-10-21)28-33(31,32)25-12-8-11-22(19-25)26(30)27-23-13-15-24(16-14-23)29-17-6-3-7-18-29/h2,4-5,8-16,19-20,28H,3,6-7,17-18H2,1H3,(H,27,30)/t20-/m0/s1
InChIKeyLZRBPHPLIXYJCV-FQEVSTJZSA-N
XLogP4.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26639375
N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
CID 26010937
N-[4-(azepan-1-yl)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 55597646
N-(2-methylphenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064636
3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide
CID 78887682
N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064640
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056054
N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide
CID 7582084
N-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]pyrrolidine-1-carboxamide
CID 7369582
3-N-tert-butyl-1-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056053
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide (CID 25362186) is 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide is C[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1)c1ccccc1.
What is the InChIKey of 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide?
The InChIKey is LZRBPHPLIXYJCV-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-20(21-9-4-2-5-10-21)28-33(31,32)25-12-8-11-22(19-25)26(30)27-23-13-15-24(16-14-23)29-17-6-3-7-18-29/h2,4-5,8-16,19-20,28H,3,6-7,17-18H2,1H3,(H,27,30)/t20-/m0/s1.
What are the key properties of 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide?
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide has a molecular weight of 463.60 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 25362186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).