3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide

C23H26N4O5S — CID 56516173

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C23H26N4O5S/c1-27(17-18-7-3-2-4-8-18)23(29)24-13-12-22(28)26-19-9-5-11-21(15-19)33(30,31)25-16-20-10-6-14-32-20/h2-11,14-15,25H,12-13,16-17H2,1H3,(H,24,29)(H,26,28)
InChIKeyIDSVWEQADZYBTQ-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.93
Rot. Bonds10

About 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide (PubChem CID 56516173) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
PubChem CID56516173
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C23H26N4O5S/c1-27(17-18-7-3-2-4-8-18)23(29)24-13-12-22(28)26-19-9-5-11-21(15-19)33(30,31)25-16-20-10-6-14-32-20/h2-11,14-15,25H,12-13,16-17H2,1H3,(H,24,29)(H,26,28)
InChIKeyIDSVWEQADZYBTQ-UHFFFAOYSA-N
XLogP2.93
TPSA120.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide 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

N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenoxy)propanamide
CID 3532204
4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide
CID 29203647
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 24639742
3-(2-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 35559497
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide
CID 4968582
2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 24639699
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 119465293
2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 8680183
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24531594
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide
CID 4964161

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide (CID 56516173) is 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide is CN(Cc1ccccc1)C(=O)NCCC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide?
The InChIKey is IDSVWEQADZYBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-27(17-18-7-3-2-4-8-18)23(29)24-13-12-22(28)26-19-9-5-11-21(15-19)33(30,31)25-16-20-10-6-14-32-20/h2-11,14-15,25H,12-13,16-17H2,1H3,(H,24,29)(H,26,28).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide has a molecular weight of 470.55 g/mol, XLogP of 2.93, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 56516173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).