N-[4-(3-ethoxypropylsulfamoyl)phenyl]-3,3-diphenylpropanamide

C26H30N2O4S — CID 2972348

IUPACN-[4-(3-ethoxypropylsulfamoyl)phenyl]-3,3-diphenylpropanamide
SMILESCCOCCCNS(=O)(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-2-32-19-9-18-27-33(30,31)24-16-14-23(15-17-24)28-26(29)20-25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-17,25,27H,2,9,18-20H2,1H3,(H,28,29)
InChIKeyVJHBSRCBMSYSQN-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.55
Rot. Bonds12

About N-[4-(3-ethoxypropylsulfamoyl)phenyl]-3,3-diphenylpropanamide

N-[4-(3-ethoxypropylsulfamoyl)phenyl]-3,3-diphenylpropanamide (PubChem CID 2972348) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[4-(3-ethoxypropylsulfamoyl)phenyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[4-(3-ethoxypropylsulfamoyl)phenyl]-3,3-diphenylpropanamide
PubChem CID2972348
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-[4-(3-ethoxypropylsulfamoyl)phenyl]-3,3-diphenylpropanamide
SMILESCCOCCCNS(=O)(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-2-32-19-9-18-27-33(30,31)24-16-14-23(15-17-24)28-26(29)20-25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-17,25,27H,2,9,18-20H2,1H3,(H,28,29)
InChIKeyVJHBSRCBMSYSQN-UHFFFAOYSA-N
XLogP4.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.55
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-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3728268
3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide
CID 2976044
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1164323
2-(1,3-benzodioxol-5-yloxy)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide
CID 17310311
2-(2-methoxyphenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 3936695
N-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide
CID 2947116
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-phenylbutanamide
CID 43007936
4-ethoxy-N-phenylbutanamide
CID 112728021
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide
CID 119964786
N-(4-hydroxyphenyl)-3,3-diphenylpropanamide
CID 836165
3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 17225945

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethoxypropylsulfamoyl)phenyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[4-(3-ethoxypropylsulfamoyl)phenyl]-3,3-diphenylpropanamide (CID 2972348) is N-[4-(3-ethoxypropylsulfamoyl)phenyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[4-(3-ethoxypropylsulfamoyl)phenyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[4-(3-ethoxypropylsulfamoyl)phenyl]-3,3-diphenylpropanamide is CCOCCCNS(=O)(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[4-(3-ethoxypropylsulfamoyl)phenyl]-3,3-diphenylpropanamide?
The InChIKey is VJHBSRCBMSYSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-2-32-19-9-18-27-33(30,31)24-16-14-23(15-17-24)28-26(29)20-25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-17,25,27H,2,9,18-20H2,1H3,(H,28,29).
What are the key properties of N-[4-(3-ethoxypropylsulfamoyl)phenyl]-3,3-diphenylpropanamide?
N-[4-(3-ethoxypropylsulfamoyl)phenyl]-3,3-diphenylpropanamide has a molecular weight of 466.60 g/mol, XLogP of 4.55, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethoxypropylsulfamoyl)phenyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 2972348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).