3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide

C25H26N4O4S — CID 55964646

IUPAC3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C25H26N4O4S/c30-24(14-9-18-7-12-23(13-8-18)34(32,33)29-20-10-11-20)28-21-6-3-4-19(16-21)25(31)27-17-22-5-1-2-15-26-22/h1-8,12-13,15-16,20,29H,9-11,14,17H2,(H,27,31)(H,28,30)
InChIKeyNNRVADAHDHOYNM-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.02
Rot. Bonds10

About 3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide

3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 55964646) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is 3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID55964646
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC Name3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C25H26N4O4S/c30-24(14-9-18-7-12-23(13-8-18)34(32,33)29-20-10-11-20)28-21-6-3-4-19(16-21)25(31)27-17-22-5-1-2-15-26-22/h1-8,12-13,15-16,20,29H,9-11,14,17H2,(H,27,31)(H,28,30)
InChIKeyNNRVADAHDHOYNM-UHFFFAOYSA-N
XLogP3.02
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 47041310
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 30126683
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide
CID 55783677
N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 30829010
3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 56580226
5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 55783720
3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55953779
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 119848954
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide
CID 18121849

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide (CID 55964646) is 3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide is O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1cccc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is NNRVADAHDHOYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c30-24(14-9-18-7-12-23(13-8-18)34(32,33)29-20-10-11-20)28-21-6-3-4-19(16-21)25(31)27-17-22-5-1-2-15-26-22/h1-8,12-13,15-16,20,29H,9-11,14,17H2,(H,27,31)(H,28,30).
What are the key properties of 3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide?
3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 478.57 g/mol, XLogP of 3.02, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 55964646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).