3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid

C17H24N2O6S — CID 119221567

IUPAC3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
SMILESCCc1ccc(C(=O)NC(C)CC(=O)O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H24N2O6S/c1-3-13-4-5-14(17(22)18-12(2)10-16(20)21)11-15(13)26(23,24)19-6-8-25-9-7-19/h4-5,11-12H,3,6-10H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyMALDPGCYWMXQIA-UHFFFAOYSA-N
MW384.45 g/mol
LogP0.86
Rot. Bonds7

About 3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid

3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid (PubChem CID 119221567) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is 3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
PubChem CID119221567
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
SMILESCCc1ccc(C(=O)NC(C)CC(=O)O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H24N2O6S/c1-3-13-4-5-14(17(22)18-12(2)10-16(20)21)11-15(13)26(23,24)19-6-8-25-9-7-19/h4-5,11-12H,3,6-10H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyMALDPGCYWMXQIA-UHFFFAOYSA-N
XLogP0.86
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
N-(1-amino-4-methylpentan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119585997
4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 120653317
N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55578878
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46401617
4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide
CID 46581143
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119250337
N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119495645
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid
CID 119221163
N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119606089
4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 42904495

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid?
The IUPAC name of 3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid (CID 119221567) is 3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid.
What is the SMILES notation for 3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid?
The canonical SMILES for 3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid is CCc1ccc(C(=O)NC(C)CC(=O)O)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid?
The InChIKey is MALDPGCYWMXQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-3-13-4-5-14(17(22)18-12(2)10-16(20)21)11-15(13)26(23,24)19-6-8-25-9-7-19/h4-5,11-12H,3,6-10H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid?
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid has a molecular weight of 384.45 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid is sourced from PubChem (CID 119221567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).