N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide

C25H35N3O5S — CID 55337258

IUPACN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCCOc1ccc(NC(=O)C(NC(=O)Cc2ccccc2)C(C)C)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C25H35N3O5S/c1-6-28(7-2)34(31,32)22-17-20(14-15-21(22)33-8-3)26-25(30)24(18(4)5)27-23(29)16-19-12-10-9-11-13-19/h9-15,17-18,24H,6-8,16H2,1-5H3,(H,26,30)(H,27,29)
InChIKeyFSHYNFJLCHEVMC-UHFFFAOYSA-N
MW489.64 g/mol
LogP3.44
Rot. Bonds12

About N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 55337258) has the molecular formula C25H35N3O5S and a molecular weight of 489.64 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
PubChem CID55337258
Molecular FormulaC25H35N3O5S
Molecular Weight489.64 g/mol
Exact Mass489.23
IUPAC NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCCOc1ccc(NC(=O)C(NC(=O)Cc2ccccc2)C(C)C)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C25H35N3O5S/c1-6-28(7-2)34(31,32)22-17-20(14-15-21(22)33-8-3)26-25(30)24(18(4)5)27-23(29)16-19-12-10-9-11-13-19/h9-15,17-18,24H,6-8,16H2,1-5H3,(H,26,30)(H,27,29)
InChIKeyFSHYNFJLCHEVMC-UHFFFAOYSA-N
XLogP3.44
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55942871
N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
CID 55349891
(2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide
CID 9470181
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984551
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 51135581
N-[1-[3-(diethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 24640018
N-[(2S)-1-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 31743532
3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 112764541
3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 55416154
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide (CID 55337258) is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide is CCOc1ccc(NC(=O)C(NC(=O)Cc2ccccc2)C(C)C)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is FSHYNFJLCHEVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O5S/c1-6-28(7-2)34(31,32)22-17-20(14-15-21(22)33-8-3)26-25(30)24(18(4)5)27-23(29)16-19-12-10-9-11-13-19/h9-15,17-18,24H,6-8,16H2,1-5H3,(H,26,30)(H,27,29).
What are the key properties of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 489.64 g/mol, XLogP of 3.44, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 55337258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).