(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

C18H25N3O7S — CID 55937487

IUPAC(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)cc(OC)c1OC
InChIInChI=1S/C18H25N3O7S/c1-10-17(12(3)28-20-10)29(23,24)21-11(2)18(22)19-9-13-7-14(25-4)16(27-6)15(8-13)26-5/h7-8,11,21H,9H2,1-6H3,(H,19,22)/t11-/m0/s1
InChIKeyYVTGZFGSNHHSHQ-NSHDSACASA-N
MW427.48 g/mol
LogP1.30
Rot. Bonds9

About (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (PubChem CID 55937487) has the molecular formula C18H25N3O7S and a molecular weight of 427.48 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
PubChem CID55937487
Molecular FormulaC18H25N3O7S
Molecular Weight427.48 g/mol
Exact Mass427.14
IUPAC Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)cc(OC)c1OC
InChIInChI=1S/C18H25N3O7S/c1-10-17(12(3)28-20-10)29(23,24)21-11(2)18(22)19-9-13-7-14(25-4)16(27-6)15(8-13)26-5/h7-8,11,21H,9H2,1-6H3,(H,19,22)/t11-/m0/s1
InChIKeyYVTGZFGSNHHSHQ-NSHDSACASA-N
XLogP1.30
TPSA128.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
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(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
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(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (CID 55937487) is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is COc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)cc(OC)c1OC.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The InChIKey is YVTGZFGSNHHSHQ-NSHDSACASA-N. The full InChI is InChI=1S/C18H25N3O7S/c1-10-17(12(3)28-20-10)29(23,24)21-11(2)18(22)19-9-13-7-14(25-4)16(27-6)15(8-13)26-5/h7-8,11,21H,9H2,1-6H3,(H,19,22)/t11-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide has a molecular weight of 427.48 g/mol, XLogP of 1.30, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 55937487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).