(2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide

C18H22N2O5S — CID 25335054

IUPAC(2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide
SMILESCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O
InChIInChI=1S/C18H22N2O5S/c1-4-12(2)18(22)19-16-11-15(9-10-17(16)21)26(23,24)20-13-5-7-14(25-3)8-6-13/h5-12,20-21H,4H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyMQLHSBVYOWDZGP-LBPRGKRZSA-N
MW378.45 g/mol
LogP3.19
Rot. Bonds7

About (2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide

(2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide (PubChem CID 25335054) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is (2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide
PubChem CID25335054
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name(2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide
SMILESCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O
InChIInChI=1S/C18H22N2O5S/c1-4-12(2)18(22)19-16-11-15(9-10-17(16)21)26(23,24)20-13-5-7-14(25-3)8-6-13/h5-12,20-21H,4H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyMQLHSBVYOWDZGP-LBPRGKRZSA-N
XLogP3.19
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide?
The IUPAC name of (2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide (CID 25335054) is (2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide.
What is the SMILES notation for (2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide?
The canonical SMILES for (2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide is CC[C@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O.
What is the InChIKey of (2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide?
The InChIKey is MQLHSBVYOWDZGP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-4-12(2)18(22)19-16-11-15(9-10-17(16)21)26(23,24)20-13-5-7-14(25-3)8-6-13/h5-12,20-21H,4H2,1-3H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide?
(2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide has a molecular weight of 378.45 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide is sourced from PubChem (CID 25335054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).