2-(4-methoxy-N-(4-methoxyphenyl)sulfonylanilino)butanoic acid

C18H21NO6S — CID 160847925

IUPAC2-(4-methoxy-N-(4-methoxyphenyl)sulfonylanilino)butanoic acid
SMILESCCC(C(=O)O)N(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO6S/c1-4-17(18(20)21)19(13-5-7-14(24-2)8-6-13)26(22,23)16-11-9-15(25-3)10-12-16/h5-12,17H,4H2,1-3H3,(H,20,21)
InChIKeySIWOMQOXBFVPRK-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.76
Rot. Bonds8

About 2-(4-methoxy-N-(4-methoxyphenyl)sulfonylanilino)butanoic acid

2-(4-methoxy-N-(4-methoxyphenyl)sulfonylanilino)butanoic acid (PubChem CID 160847925) has the molecular formula C18H21NO6S and a molecular weight of 379.43 g/mol. Its IUPAC name is 2-(4-methoxy-N-(4-methoxyphenyl)sulfonylanilino)butanoic acid.

Molecular Properties

Compound Name2-(4-methoxy-N-(4-methoxyphenyl)sulfonylanilino)butanoic acid
PubChem CID160847925
Molecular FormulaC18H21NO6S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Name2-(4-methoxy-N-(4-methoxyphenyl)sulfonylanilino)butanoic acid
SMILESCCC(C(=O)O)N(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO6S/c1-4-17(18(20)21)19(13-5-7-14(24-2)8-6-13)26(22,23)16-11-9-15(25-3)10-12-16/h5-12,17H,4H2,1-3H3,(H,20,21)
InChIKeySIWOMQOXBFVPRK-UHFFFAOYSA-N
XLogP2.76
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50891410
2-(N-(4-bromophenyl)sulfonyl-4-methoxyanilino)propanoic acid
CID 50891444
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide
CID 95118747
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoyl chloride
CID 50891411
2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid
CID 70003352
(2S)-2-[[(2S)-2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]amino]butanoic acid
CID 42100963
4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46022049
2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 132666260
2-[(4-methoxyphenyl)-methylcarbamoyl]butanoic acid
CID 115185896
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 22907064
2-(N-(4-methylphenyl)sulfonyl-4-propoxyanilino)propanoic acid
CID 50895151
(2R)-4-amino-2-[[2-[[[(1S)-3-amino-1-carboxy-3-oxopropyl]-(4-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-4-oxobutanoic acid
CID 154653225

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-(4-methoxyphenyl)sulfonylanilino)butanoic acid?
The IUPAC name of 2-(4-methoxy-N-(4-methoxyphenyl)sulfonylanilino)butanoic acid (CID 160847925) is 2-(4-methoxy-N-(4-methoxyphenyl)sulfonylanilino)butanoic acid.
What is the SMILES notation for 2-(4-methoxy-N-(4-methoxyphenyl)sulfonylanilino)butanoic acid?
The canonical SMILES for 2-(4-methoxy-N-(4-methoxyphenyl)sulfonylanilino)butanoic acid is CCC(C(=O)O)N(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxy-N-(4-methoxyphenyl)sulfonylanilino)butanoic acid?
The InChIKey is SIWOMQOXBFVPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6S/c1-4-17(18(20)21)19(13-5-7-14(24-2)8-6-13)26(22,23)16-11-9-15(25-3)10-12-16/h5-12,17H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-methoxy-N-(4-methoxyphenyl)sulfonylanilino)butanoic acid?
2-(4-methoxy-N-(4-methoxyphenyl)sulfonylanilino)butanoic acid has a molecular weight of 379.43 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-(4-methoxyphenyl)sulfonylanilino)butanoic acid is sourced from PubChem (CID 160847925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).