N'-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanimidamide

C13H17N3O5S — CID 19091391

IUPACN'-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanimidamide
SMILESCOc1ccc(S(=O)(=O)/N=C(/N)CCN2CCOC2=O)cc1
InChIInChI=1S/C13H17N3O5S/c1-20-10-2-4-11(5-3-10)22(18,19)15-12(14)6-7-16-8-9-21-13(16)17/h2-5H,6-9H2,1H3,(H2,14,15)
InChIKeyWJPULOOPJCTSKO-UHFFFAOYSA-N
MW327.36 g/mol
LogP0.58
Rot. Bonds6

About N'-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanimidamide

N'-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanimidamide (PubChem CID 19091391) has the molecular formula C13H17N3O5S and a molecular weight of 327.36 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanimidamide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanimidamide
PubChem CID19091391
Molecular FormulaC13H17N3O5S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC NameN'-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanimidamide
SMILESCOc1ccc(S(=O)(=O)/N=C(/N)CCN2CCOC2=O)cc1
InChIInChI=1S/C13H17N3O5S/c1-20-10-2-4-11(5-3-10)22(18,19)15-12(14)6-7-16-8-9-21-13(16)17/h2-5H,6-9H2,1H3,(H2,14,15)
InChIKeyWJPULOOPJCTSKO-UHFFFAOYSA-N
XLogP0.58
TPSA111.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-fluorobenzoyl)piperidin-1-yl]-N'-(4-methoxyphenyl)sulfonylpropanimidamide;oxalic acid
CID 67801576
2-(4-methoxyphenyl)sulfonylguanidine
CID 10775754
[1-amino-3-(2-oxo-1,3-oxazolidin-3-yl)propylidene]urea
CID 54212253
3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
CID 94599769
3,4-dimethoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719319
N-[(1R)-1-(4-methoxyphenyl)pentyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 95156218
3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one
CID 101496392
3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one
CID 21071128
3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one
CID 47061882
3-[2-(4-aminophenoxy)ethyl]-1,3-oxazolidin-2-one
CID 43365795
3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 143433402
2-(3-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]acetamide
CID 110719290

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanimidamide?
The IUPAC name of N'-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanimidamide (CID 19091391) is N'-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanimidamide.
What is the SMILES notation for N'-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanimidamide?
The canonical SMILES for N'-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanimidamide is COc1ccc(S(=O)(=O)/N=C(/N)CCN2CCOC2=O)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanimidamide?
The InChIKey is WJPULOOPJCTSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5S/c1-20-10-2-4-11(5-3-10)22(18,19)15-12(14)6-7-16-8-9-21-13(16)17/h2-5H,6-9H2,1H3,(H2,14,15).
What are the key properties of N'-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanimidamide?
N'-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanimidamide has a molecular weight of 327.36 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanimidamide is sourced from PubChem (CID 19091391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).