1H-indol-3-yl (2S)-2-[[4-(2-hydroxyethyl)phenyl]sulfonylamino]propanoate

C19H20N2O5S — CID 22816717

IUPAC1H-indol-3-yl (2S)-2-[[4-(2-hydroxyethyl)phenyl]sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccc(CCO)cc1)C(=O)Oc1c[nH]c2ccccc12
InChIInChI=1S/C19H20N2O5S/c1-13(19(23)26-18-12-20-17-5-3-2-4-16(17)18)21-27(24,25)15-8-6-14(7-9-15)10-11-22/h2-9,12-13,20-22H,10-11H2,1H3/t13-/m0/s1
InChIKeyVBBDVCMJLFYGKL-ZDUSSCGKSA-N
MW388.45 g/mol
LogP1.98
Rot. Bonds7

About 1H-indol-3-yl (2S)-2-[[4-(2-hydroxyethyl)phenyl]sulfonylamino]propanoate

1H-indol-3-yl (2S)-2-[[4-(2-hydroxyethyl)phenyl]sulfonylamino]propanoate (PubChem CID 22816717) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 1H-indol-3-yl (2S)-2-[[4-(2-hydroxyethyl)phenyl]sulfonylamino]propanoate.

Molecular Properties

Compound Name1H-indol-3-yl (2S)-2-[[4-(2-hydroxyethyl)phenyl]sulfonylamino]propanoate
PubChem CID22816717
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name1H-indol-3-yl (2S)-2-[[4-(2-hydroxyethyl)phenyl]sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccc(CCO)cc1)C(=O)Oc1c[nH]c2ccccc12
InChIInChI=1S/C19H20N2O5S/c1-13(19(23)26-18-12-20-17-5-3-2-4-16(17)18)21-27(24,25)15-8-6-14(7-9-15)10-11-22/h2-9,12-13,20-22H,10-11H2,1H3/t13-/m0/s1
InChIKeyVBBDVCMJLFYGKL-ZDUSSCGKSA-N
XLogP1.98
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1H-indol-3-yl (2S)-2-[[4-(2-hydroxyethyl)phenyl]sulfonylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-indol-3-yl 2-[(4-methylphenyl)sulfonylamino]propanoate
CID 4227873
2-[4-[[(2S)-1-(1H-indol-3-yloxy)-1-oxopropan-2-yl]sulfamoyl]phenoxy]acetic acid
CID 22816728
1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
CID 118705392
(2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24599842
1H-indol-3-yl (2S)-2-[(4-oxo-4-phenylbut-2-en-2-yl)amino]propanoate
CID 70568486
4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 25047405
methyl (2R)-3-(1H-indol-3-yl)-2-[[4-[2-[4-(3-methoxy-3-oxopropyl)phenyl]ethynyl]phenyl]sulfonylamino]propanoate
CID 67589103
methyl (2R)-3-(1H-indol-3-yl)-2-[[4-[2-[4-(2-methylpropyl)phenyl]ethynyl]phenyl]sulfonylamino]propanoate
CID 67589664
2-(1H-indol-3-ylsulfonylamino)propanoic acid
CID 82487562
(2-phenyl-1H-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 70493297
1H-indol-3-yl 4-aminopentanoate
CID 57023329
1H-indol-3-yl 1H-indole-3-carboxylate
CID 90824534

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl (2S)-2-[[4-(2-hydroxyethyl)phenyl]sulfonylamino]propanoate?
The IUPAC name of 1H-indol-3-yl (2S)-2-[[4-(2-hydroxyethyl)phenyl]sulfonylamino]propanoate (CID 22816717) is 1H-indol-3-yl (2S)-2-[[4-(2-hydroxyethyl)phenyl]sulfonylamino]propanoate.
What is the SMILES notation for 1H-indol-3-yl (2S)-2-[[4-(2-hydroxyethyl)phenyl]sulfonylamino]propanoate?
The canonical SMILES for 1H-indol-3-yl (2S)-2-[[4-(2-hydroxyethyl)phenyl]sulfonylamino]propanoate is C[C@H](NS(=O)(=O)c1ccc(CCO)cc1)C(=O)Oc1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yl (2S)-2-[[4-(2-hydroxyethyl)phenyl]sulfonylamino]propanoate?
The InChIKey is VBBDVCMJLFYGKL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-13(19(23)26-18-12-20-17-5-3-2-4-16(17)18)21-27(24,25)15-8-6-14(7-9-15)10-11-22/h2-9,12-13,20-22H,10-11H2,1H3/t13-/m0/s1.
What are the key properties of 1H-indol-3-yl (2S)-2-[[4-(2-hydroxyethyl)phenyl]sulfonylamino]propanoate?
1H-indol-3-yl (2S)-2-[[4-(2-hydroxyethyl)phenyl]sulfonylamino]propanoate has a molecular weight of 388.45 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl (2S)-2-[[4-(2-hydroxyethyl)phenyl]sulfonylamino]propanoate is sourced from PubChem (CID 22816717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).