N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

C19H19N3O4S — CID 34304081

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCc1nc2cc(NC(=O)CCNS(=O)(=O)/C=C/c3ccccc3)ccc2o1
InChIInChI=1S/C19H19N3O4S/c1-14-21-17-13-16(7-8-18(17)26-14)22-19(23)9-11-20-27(24,25)12-10-15-5-3-2-4-6-15/h2-8,10,12-13,20H,9,11H2,1H3,(H,22,23)/b12-10+
InChIKeyRJRCYJVTRCEONJ-ZRDIBKRKSA-N
MW385.45 g/mol
LogP3.06
Rot. Bonds7

About N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (PubChem CID 34304081) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
PubChem CID34304081
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCc1nc2cc(NC(=O)CCNS(=O)(=O)/C=C/c3ccccc3)ccc2o1
InChIInChI=1S/C19H19N3O4S/c1-14-21-17-13-16(7-8-18(17)26-14)22-19(23)9-11-20-27(24,25)12-10-15-5-3-2-4-6-15/h2-8,10,12-13,20H,9,11H2,1H3,(H,22,23)/b12-10+
InChIKeyRJRCYJVTRCEONJ-ZRDIBKRKSA-N
XLogP3.06
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 26715751
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 34304049
ethyl 5-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]-1-benzothiophene-2-carboxylate
CID 55637978
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide
CID 55975784
3-[[(E)-2-phenylethenyl]sulfonylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 30395262
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
N-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 27649780
N-[4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 35626706
4-chloro-N-[4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-4-oxobutyl]benzamide
CID 37040476
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604979
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 37040636

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (CID 34304081) is N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is Cc1nc2cc(NC(=O)CCNS(=O)(=O)/C=C/c3ccccc3)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The InChIKey is RJRCYJVTRCEONJ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-14-21-17-13-16(7-8-18(17)26-14)22-19(23)9-11-20-27(24,25)12-10-15-5-3-2-4-6-15/h2-8,10,12-13,20H,9,11H2,1H3,(H,22,23)/b12-10+.
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide has a molecular weight of 385.45 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 34304081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).