2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid

C16H24N2O6S — CID 120702262

IUPAC2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NC(CCOC)C(=O)O)cc1
InChIInChI=1S/C16H24N2O6S/c1-4-18(5-2)25(22,23)13-8-6-12(7-9-13)15(19)17-14(16(20)21)10-11-24-3/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyZNJWJRPDWMVQAZ-UHFFFAOYSA-N
MW372.44 g/mol
LogP0.94
Rot. Bonds10

About 2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid

2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid (PubChem CID 120702262) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid
PubChem CID120702262
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Name2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NC(CCOC)C(=O)O)cc1
InChIInChI=1S/C16H24N2O6S/c1-4-18(5-2)25(22,23)13-8-6-12(7-9-13)15(19)17-14(16(20)21)10-11-24-3/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyZNJWJRPDWMVQAZ-UHFFFAOYSA-N
XLogP0.94
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
CID 62478568
2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213
(2S)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 122185695
4-methoxy-2-[(4-methylsulfanylbenzoyl)amino]butanoic acid
CID 62480545
(2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
CID 119367792
(2S)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]hexanoic acid
CID 120614918
4-methoxy-2-[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]butanoic acid
CID 120703077
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
(2R)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid
CID 7154543
2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702074
4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048652
(2S)-2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]hexanoic acid
CID 120614682

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid (CID 120702262) is 2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid is CCN(CC)S(=O)(=O)c1ccc(C(=O)NC(CCOC)C(=O)O)cc1.
What is the InChIKey of 2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid?
The InChIKey is ZNJWJRPDWMVQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-4-18(5-2)25(22,23)13-8-6-12(7-9-13)15(19)17-14(16(20)21)10-11-24-3/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid?
2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid has a molecular weight of 372.44 g/mol, XLogP of 0.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 120702262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).