2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid

C17H26N2O6S — CID 119188454

IUPAC2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NC(CC(C)C)C(=O)O)cc1
InChIInChI=1S/C17H26N2O6S/c1-4-25-13-5-7-14(8-6-13)26(23,24)18-10-9-16(20)19-15(17(21)22)11-12(2)3/h5-8,12,15,18H,4,9-11H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyVIDCYMWPHABAHA-UHFFFAOYSA-N
MW386.47 g/mol
LogP1.37
Rot. Bonds11

About 2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid

2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid (PubChem CID 119188454) has the molecular formula C17H26N2O6S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid
PubChem CID119188454
Molecular FormulaC17H26N2O6S
Molecular Weight386.47 g/mol
Exact Mass386.15
IUPAC Name2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NC(CC(C)C)C(=O)O)cc1
InChIInChI=1S/C17H26N2O6S/c1-4-25-13-5-7-14(8-6-13)26(23,24)18-10-9-16(20)19-15(17(21)22)11-12(2)3/h5-8,12,15,18H,4,9-11H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyVIDCYMWPHABAHA-UHFFFAOYSA-N
XLogP1.37
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119238344
N-[(2R)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458972
N-[(2S)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458973
(2R)-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-4-methylpentanoic acid
CID 119363891
3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51149160
N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24575222
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide
CID 78843826
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653177
[2-oxo-2-(propan-2-ylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35792599
3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 112763941
2-[(4-ethoxyphenyl)sulfonylamino]-5-methylhexanoic acid
CID 18801854

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid (CID 119188454) is 2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid is CCOc1ccc(S(=O)(=O)NCCC(=O)NC(CC(C)C)C(=O)O)cc1.
What is the InChIKey of 2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid?
The InChIKey is VIDCYMWPHABAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6S/c1-4-25-13-5-7-14(8-6-13)26(23,24)18-10-9-16(20)19-15(17(21)22)11-12(2)3/h5-8,12,15,18H,4,9-11H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid?
2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid has a molecular weight of 386.47 g/mol, XLogP of 1.37, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 119188454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).