N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide

C15H20N2O3S — CID 94909095

IUPACN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide
SMILESCSc1ccccc1NC(=O)C(=O)NC[C@](C)(O)C1CC1
InChIInChI=1S/C15H20N2O3S/c1-15(20,10-7-8-10)9-16-13(18)14(19)17-11-5-3-4-6-12(11)21-2/h3-6,10,20H,7-9H2,1-2H3,(H,16,18)(H,17,19)/t15-/m0/s1
InChIKeyHIUQYZUUQGULDQ-HNNXBMFYSA-N
MW308.40 g/mol
LogP1.62
Rot. Bonds5

About N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide

N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide (PubChem CID 94909095) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide
PubChem CID94909095
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide
SMILESCSc1ccccc1NC(=O)C(=O)NC[C@](C)(O)C1CC1
InChIInChI=1S/C15H20N2O3S/c1-15(20,10-7-8-10)9-16-13(18)14(19)17-11-5-3-4-6-12(11)21-2/h3-6,10,20H,7-9H2,1-2H3,(H,16,18)(H,17,19)/t15-/m0/s1
InChIKeyHIUQYZUUQGULDQ-HNNXBMFYSA-N
XLogP1.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.62
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-(2-cyclopropyl-2-hydroxypropyl)-N'-(2-methylsulfanylphenyl)oxamide
CID 56764387
N-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide
CID 52992742
N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 52992789
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 95982419
N-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 90499424
N'-(3-acetamidophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 90499460
N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide
CID 90499435
3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide
CID 112789217
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 16886771
3-hydroxy-3-methyl-4-[(2-methylsulfanylphenyl)carbamoylamino]butanoic acid
CID 107642376
N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide
CID 111335829
N'-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)oxamide
CID 44998267

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide (CID 94909095) is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide is CSc1ccccc1NC(=O)C(=O)NC[C@](C)(O)C1CC1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide?
The InChIKey is HIUQYZUUQGULDQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-15(20,10-7-8-10)9-16-13(18)14(19)17-11-5-3-4-6-12(11)21-2/h3-6,10,20H,7-9H2,1-2H3,(H,16,18)(H,17,19)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide?
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide has a molecular weight of 308.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide is sourced from PubChem (CID 94909095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).