N-[2-[(S)-benzylsulfinyl]ethyl]-N'-(2-methylphenyl)oxamide

C18H20N2O3S — CID 95770934

IUPACN-[2-[(S)-benzylsulfinyl]ethyl]-N'-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCC[S@@](=O)Cc1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-14-7-5-6-10-16(14)20-18(22)17(21)19-11-12-24(23)13-15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22)/t24-/m1/s1
InChIKeyUZDCBSGUIFSSKE-XMMPIXPASA-N
MW344.44 g/mol
LogP2.00
Rot. Bonds6

About N-[2-[(S)-benzylsulfinyl]ethyl]-N'-(2-methylphenyl)oxamide

N-[2-[(S)-benzylsulfinyl]ethyl]-N'-(2-methylphenyl)oxamide (PubChem CID 95770934) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-[(S)-benzylsulfinyl]ethyl]-N'-(2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-[(S)-benzylsulfinyl]ethyl]-N'-(2-methylphenyl)oxamide
PubChem CID95770934
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[2-[(S)-benzylsulfinyl]ethyl]-N'-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCC[S@@](=O)Cc1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-14-7-5-6-10-16(14)20-18(22)17(21)19-11-12-24(23)13-15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22)/t24-/m1/s1
InChIKeyUZDCBSGUIFSSKE-XMMPIXPASA-N
XLogP2.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide
CID 95619655
N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide
CID 108986517
1-(2-benzylsulfinylethyl)-3-[(4-methylphenyl)methyl]urea
CID 56787573
N-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide
CID 111490774
4-[[2-(2-methylanilino)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123106760
2-(2-benzylsulfinylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 119184717
N-[2-[(R)-benzylsulfinyl]ethyl]-3,3,3-trifluoropropanamide
CID 97082580
4-(2-benzylsulfinylethylcarbamoylamino)butanoic acid
CID 122002686
2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide
CID 120592045
N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
CID 2876297
N'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 2271541
N-[2-(2-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 2224642

Frequently Asked Questions

What is the IUPAC name of N-[2-[(S)-benzylsulfinyl]ethyl]-N'-(2-methylphenyl)oxamide?
The IUPAC name of N-[2-[(S)-benzylsulfinyl]ethyl]-N'-(2-methylphenyl)oxamide (CID 95770934) is N-[2-[(S)-benzylsulfinyl]ethyl]-N'-(2-methylphenyl)oxamide.
What is the SMILES notation for N-[2-[(S)-benzylsulfinyl]ethyl]-N'-(2-methylphenyl)oxamide?
The canonical SMILES for N-[2-[(S)-benzylsulfinyl]ethyl]-N'-(2-methylphenyl)oxamide is Cc1ccccc1NC(=O)C(=O)NCC[S@@](=O)Cc1ccccc1.
What is the InChIKey of N-[2-[(S)-benzylsulfinyl]ethyl]-N'-(2-methylphenyl)oxamide?
The InChIKey is UZDCBSGUIFSSKE-XMMPIXPASA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-14-7-5-6-10-16(14)20-18(22)17(21)19-11-12-24(23)13-15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22)/t24-/m1/s1.
What are the key properties of N-[2-[(S)-benzylsulfinyl]ethyl]-N'-(2-methylphenyl)oxamide?
N-[2-[(S)-benzylsulfinyl]ethyl]-N'-(2-methylphenyl)oxamide has a molecular weight of 344.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(S)-benzylsulfinyl]ethyl]-N'-(2-methylphenyl)oxamide is sourced from PubChem (CID 95770934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).