N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-oxoimidazolidine-1-carboxamide

C13H17N3O3S — CID 71803847

IUPACN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-oxoimidazolidine-1-carboxamide
SMILESCSc1ccc(C(O)CNC(=O)N2CCNC2=O)cc1
InChIInChI=1S/C13H17N3O3S/c1-20-10-4-2-9(3-5-10)11(17)8-15-13(19)16-7-6-14-12(16)18/h2-5,11,17H,6-8H2,1H3,(H,14,18)(H,15,19)
InChIKeyPDIMOVUKCRVDSI-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.18
Rot. Bonds4

About N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-oxoimidazolidine-1-carboxamide

N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-oxoimidazolidine-1-carboxamide (PubChem CID 71803847) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-oxoimidazolidine-1-carboxamide
PubChem CID71803847
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-oxoimidazolidine-1-carboxamide
SMILESCSc1ccc(C(O)CNC(=O)N2CCNC2=O)cc1
InChIInChI=1S/C13H17N3O3S/c1-20-10-4-2-9(3-5-10)11(17)8-15-13(19)16-7-6-14-12(16)18/h2-5,11,17H,6-8H2,1H3,(H,14,18)(H,15,19)
InChIKeyPDIMOVUKCRVDSI-UHFFFAOYSA-N
XLogP1.18
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 100699848
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 97416883
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
methyl 4-[[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]carbamoyl]benzoate
CID 97416840
N-benzyl-N'-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
CID 71803886
1-benzyl-3-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea
CID 97417039
1-(4-methylsulfanylphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 172687995
N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 97416896
(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]prop-2-enamide
CID 97416926
3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 90581766
N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide
CID 100696956
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide
CID 97416773

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-oxoimidazolidine-1-carboxamide (CID 71803847) is N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-oxoimidazolidine-1-carboxamide is CSc1ccc(C(O)CNC(=O)N2CCNC2=O)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-oxoimidazolidine-1-carboxamide?
The InChIKey is PDIMOVUKCRVDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-20-10-4-2-9(3-5-10)11(17)8-15-13(19)16-7-6-14-12(16)18/h2-5,11,17H,6-8H2,1H3,(H,14,18)(H,15,19).
What are the key properties of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-oxoimidazolidine-1-carboxamide?
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-oxoimidazolidine-1-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 71803847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).