N-[1-[[4-(dimethylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide

C23H31N3O5S — CID 55846667

IUPACN-[1-[[4-(dimethylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C23H31N3O5S/c1-6-31-19-11-9-18(10-12-19)22(27)25-21(16(2)3)23(28)24-15-17-7-13-20(14-8-17)32(29,30)26(4)5/h7-14,16,21H,6,15H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyXLLGUTXJUVDPNO-UHFFFAOYSA-N
MW461.58 g/mol
LogP2.41
Rot. Bonds10

About N-[1-[[4-(dimethylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide

N-[1-[[4-(dimethylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide (PubChem CID 55846667) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is N-[1-[[4-(dimethylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[1-[[4-(dimethylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
PubChem CID55846667
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC NameN-[1-[[4-(dimethylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C23H31N3O5S/c1-6-31-19-11-9-18(10-12-19)22(27)25-21(16(2)3)23(28)24-15-17-7-13-20(14-8-17)32(29,30)26(4)5/h7-14,16,21H,6,15H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyXLLGUTXJUVDPNO-UHFFFAOYSA-N
XLogP2.41
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[[4-(dimethylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide with MolForge

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Related Compounds

4-ethoxy-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 2668522
N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 2598147
N-[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 4799830
(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 28561746
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134
4-ethoxy-N-[3-methyl-1-[2-(methylamino)ethylamino]-1-oxobutan-2-yl]benzamide
CID 119503972
4-ethoxy-N-[1-[(3-methoxy-4-propoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55632481
N-[1-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55637226
4-ethoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 119433829
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
N-[1-(4-ethoxyphenyl)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55490961
N-[1-[2-(3,4-diethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55337522

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(dimethylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide?
The IUPAC name of N-[1-[[4-(dimethylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide (CID 55846667) is N-[1-[[4-(dimethylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[1-[[4-(dimethylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[1-[[4-(dimethylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NC(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C(C)C)cc1.
What is the InChIKey of N-[1-[[4-(dimethylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide?
The InChIKey is XLLGUTXJUVDPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-6-31-19-11-9-18(10-12-19)22(27)25-21(16(2)3)23(28)24-15-17-7-13-20(14-8-17)32(29,30)26(4)5/h7-14,16,21H,6,15H2,1-5H3,(H,24,28)(H,25,27).
What are the key properties of N-[1-[[4-(dimethylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide?
N-[1-[[4-(dimethylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide has a molecular weight of 461.58 g/mol, XLogP of 2.41, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(dimethylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide is sourced from PubChem (CID 55846667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).