N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide

C25H27N3O3S — CID 17392586

IUPACN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CNC2(c3ccccc3)CCC2)c1
InChIInChI=1S/C25H27N3O3S/c1-28(22-13-6-3-7-14-22)32(30,31)23-15-8-12-21(18-23)27-24(29)19-26-25(16-9-17-25)20-10-4-2-5-11-20/h2-8,10-15,18,26H,9,16-17,19H2,1H3,(H,27,29)
InChIKeyBCUYVFXQDQRQIE-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.12
Rot. Bonds8

About N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide (PubChem CID 17392586) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide
PubChem CID17392586
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CNC2(c3ccccc3)CCC2)c1
InChIInChI=1S/C25H27N3O3S/c1-28(22-13-6-3-7-14-22)32(30,31)23-15-8-12-21(18-23)27-24(29)19-26-25(16-9-17-25)20-10-4-2-5-11-20/h2-8,10-15,18,26H,9,16-17,19H2,1H3,(H,27,29)
InChIKeyBCUYVFXQDQRQIE-UHFFFAOYSA-N
XLogP4.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 55304420
2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide
CID 17455691
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate
CID 4526537
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate
CID 7851108
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8930825
2-(3-methyl-2-oxo-1-pyridinyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 56510143
3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 29358158
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8918828
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 55605086
2-(2-ethoxyphenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 30601573
2-(4-fluorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 42989226

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide?
The IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide (CID 17392586) is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide.
What is the SMILES notation for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide?
The canonical SMILES for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CNC2(c3ccccc3)CCC2)c1.
What is the InChIKey of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide?
The InChIKey is BCUYVFXQDQRQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-28(22-13-6-3-7-14-22)32(30,31)23-15-8-12-21(18-23)27-24(29)19-26-25(16-9-17-25)20-10-4-2-5-11-20/h2-8,10-15,18,26H,9,16-17,19H2,1H3,(H,27,29).
What are the key properties of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide?
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide has a molecular weight of 449.58 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide is sourced from PubChem (CID 17392586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).