N-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide

C11H14N2O3S — CID 44997522

IUPACN-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)NCCO)c1
InChIInChI=1S/C11H14N2O3S/c1-17-9-4-2-3-8(7-9)13-11(16)10(15)12-5-6-14/h2-4,7,14H,5-6H2,1H3,(H,12,15)(H,13,16)
InChIKeyLANQWIHNPDARFF-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.46
Rot. Bonds4

About N-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide

N-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide (PubChem CID 44997522) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide
PubChem CID44997522
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)NCCO)c1
InChIInChI=1S/C11H14N2O3S/c1-17-9-4-2-3-8(7-9)13-11(16)10(15)12-5-6-14/h2-4,7,14H,5-6H2,1H3,(H,12,15)(H,13,16)
InChIKeyLANQWIHNPDARFF-UHFFFAOYSA-N
XLogP0.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 100697984
1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
CID 110890355
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 108520190
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
N-(4-cyanophenyl)-N'-(3-methylsulfanylphenyl)oxamide
CID 108519404
1-(3-methylsulfanylphenyl)-3-(3-oxobutyl)urea
CID 108895083
N'-(3-methylsulfanylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453015
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid
CID 43445764
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 42268814
2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide
CID 43145996
N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 16891233

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide?
The IUPAC name of N-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide (CID 44997522) is N-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide is CSc1cccc(NC(=O)C(=O)NCCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide?
The InChIKey is LANQWIHNPDARFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-17-9-4-2-3-8(7-9)13-11(16)10(15)12-5-6-14/h2-4,7,14H,5-6H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide?
N-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide has a molecular weight of 254.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide is sourced from PubChem (CID 44997522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).