N-[[3-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-phenylphenyl]methyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]cyclobutanecarboxamide

C29H36N4O5S — CID 174425531

IUPACN-[[3-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-phenylphenyl]methyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]cyclobutanecarboxamide
SMILESCNC(=O)[C@H](C(C)C)N(Cc1ccc(-c2ccccc2)c(S(=O)(=O)Nc2noc(C)c2C)c1)C(=O)C1CCC1
InChIInChI=1S/C29H36N4O5S/c1-18(2)26(28(34)30-5)33(29(35)23-12-9-13-23)17-21-14-15-24(22-10-7-6-8-11-22)25(16-21)39(36,37)32-27-19(3)20(4)38-31-27/h6-8,10-11,14-16,18,23,26H,9,12-13,17H2,1-5H3,(H,30,34)(H,31,32)/t26-/m0/s1
InChIKeyWQHRIYBMAAEHMQ-SANMLTNESA-N
MW552.70 g/mol
LogP4.66
Rot. Bonds10

About N-[[3-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-phenylphenyl]methyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]cyclobutanecarboxamide

N-[[3-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-phenylphenyl]methyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]cyclobutanecarboxamide (PubChem CID 174425531) has the molecular formula C29H36N4O5S and a molecular weight of 552.70 g/mol. Its IUPAC name is N-[[3-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-phenylphenyl]methyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[3-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-phenylphenyl]methyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]cyclobutanecarboxamide
PubChem CID174425531
Molecular FormulaC29H36N4O5S
Molecular Weight552.70 g/mol
Exact Mass552.24
IUPAC NameN-[[3-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-phenylphenyl]methyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]cyclobutanecarboxamide
SMILESCNC(=O)[C@H](C(C)C)N(Cc1ccc(-c2ccccc2)c(S(=O)(=O)Nc2noc(C)c2C)c1)C(=O)C1CCC1
InChIInChI=1S/C29H36N4O5S/c1-18(2)26(28(34)30-5)33(29(35)23-12-9-13-23)17-21-14-15-24(22-10-7-6-8-11-22)25(16-21)39(36,37)32-27-19(3)20(4)38-31-27/h6-8,10-11,14-16,18,23,26H,9,12-13,17H2,1-5H3,(H,30,34)(H,31,32)/t26-/m0/s1
InChIKeyWQHRIYBMAAEHMQ-SANMLTNESA-N
XLogP4.66
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.70
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-phenylphenyl]methyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-phenylphenyl]methyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[[3-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-phenylphenyl]methyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]cyclobutanecarboxamide (CID 174425531) is N-[[3-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-phenylphenyl]methyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[3-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-phenylphenyl]methyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[[3-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-phenylphenyl]methyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]cyclobutanecarboxamide is CNC(=O)[C@H](C(C)C)N(Cc1ccc(-c2ccccc2)c(S(=O)(=O)Nc2noc(C)c2C)c1)C(=O)C1CCC1.
What is the InChIKey of N-[[3-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-phenylphenyl]methyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]cyclobutanecarboxamide?
The InChIKey is WQHRIYBMAAEHMQ-SANMLTNESA-N. The full InChI is InChI=1S/C29H36N4O5S/c1-18(2)26(28(34)30-5)33(29(35)23-12-9-13-23)17-21-14-15-24(22-10-7-6-8-11-22)25(16-21)39(36,37)32-27-19(3)20(4)38-31-27/h6-8,10-11,14-16,18,23,26H,9,12-13,17H2,1-5H3,(H,30,34)(H,31,32)/t26-/m0/s1.
What are the key properties of N-[[3-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-phenylphenyl]methyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]cyclobutanecarboxamide?
N-[[3-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-phenylphenyl]methyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]cyclobutanecarboxamide has a molecular weight of 552.70 g/mol, XLogP of 4.66, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-phenylphenyl]methyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 174425531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).