4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid

C16H22N2O7S — CID 120702004

IUPAC4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)O
InChIInChI=1S/C16H22N2O7S/c1-24-8-5-14(16(20)21)17-15(19)12-3-2-4-13(11-12)26(22,23)18-6-9-25-10-7-18/h2-4,11,14H,5-10H2,1H3,(H,17,19)(H,20,21)
InChIKeyNLRYFKJHVQYRPO-UHFFFAOYSA-N
MW386.43 g/mol
LogP-0.07
Rot. Bonds8

About 4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid

4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid (PubChem CID 120702004) has the molecular formula C16H22N2O7S and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
PubChem CID120702004
Molecular FormulaC16H22N2O7S
Molecular Weight386.43 g/mol
Exact Mass386.11
IUPAC Name4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)O
InChIInChI=1S/C16H22N2O7S/c1-24-8-5-14(16(20)21)17-15(19)12-3-2-4-13(11-12)26(22,23)18-6-9-25-10-7-18/h2-4,11,14H,5-10H2,1H3,(H,17,19)(H,20,21)
InChIKeyNLRYFKJHVQYRPO-UHFFFAOYSA-N
XLogP-0.07
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 45353538
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 8936210
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
N-[(2R)-1-(3-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 40786677
3-morpholin-4-ylsulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733022
N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9481709
N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 9479543
N-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 119615604
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7733419

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid (CID 120702004) is 4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid is COCCC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid?
The InChIKey is NLRYFKJHVQYRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O7S/c1-24-8-5-14(16(20)21)17-15(19)12-3-2-4-13(11-12)26(22,23)18-6-9-25-10-7-18/h2-4,11,14H,5-10H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid?
4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid has a molecular weight of 386.43 g/mol, XLogP of -0.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid is sourced from PubChem (CID 120702004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).