N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide

C22H28N2O3S — CID 47731867

IUPACN-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-17(2)24(3)28(26,27)20-12-10-18(11-13-20)16-23-21(25)22(14-7-15-22)19-8-5-4-6-9-19/h4-6,8-13,17H,7,14-16H2,1-3H3,(H,23,25)
InChIKeyCHTAHKFIPGYYQR-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.45
Rot. Bonds7

About N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide

N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 47731867) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide
PubChem CID47731867
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-17(2)24(3)28(26,27)20-12-10-18(11-13-20)16-23-21(25)22(14-7-15-22)19-8-5-4-6-9-19/h4-6,8-13,17H,7,14-16H2,1-3H3,(H,23,25)
InChIKeyCHTAHKFIPGYYQR-UHFFFAOYSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 33315785
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 47731570
2-methyl-1-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111856757
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide
CID 50827100
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496
4-[[(1-phenylcyclohexanecarbonyl)amino]methyl]benzoic acid
CID 134561755
4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid
CID 122030686
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60584976
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 47904784
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117

Frequently Asked Questions

What is the IUPAC name of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide (CID 47731867) is N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide is CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C2(c3ccccc3)CCC2)cc1.
What is the InChIKey of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is CHTAHKFIPGYYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-17(2)24(3)28(26,27)20-12-10-18(11-13-20)16-23-21(25)22(14-7-15-22)19-8-5-4-6-9-19/h4-6,8-13,17H,7,14-16H2,1-3H3,(H,23,25).
What are the key properties of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide?
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 47731867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).