N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2-methoxy-5-methylphenyl)oxamide

C16H24N2O4S — CID 95984505

IUPACN-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NC[C@@](C)(O)CCSC
InChIInChI=1S/C16H24N2O4S/c1-11-5-6-13(22-3)12(9-11)18-15(20)14(19)17-10-16(2,21)7-8-23-4/h5-6,9,21H,7-8,10H2,1-4H3,(H,17,19)(H,18,20)/t16-/m0/s1
InChIKeyBQHBDQCZXCCTPT-INIZCTEOSA-N
MW340.45 g/mol
LogP1.56
Rot. Bonds7

About N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2-methoxy-5-methylphenyl)oxamide

N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2-methoxy-5-methylphenyl)oxamide (PubChem CID 95984505) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2-methoxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2-methoxy-5-methylphenyl)oxamide
PubChem CID95984505
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NC[C@@](C)(O)CCSC
InChIInChI=1S/C16H24N2O4S/c1-11-5-6-13(22-3)12(9-11)18-15(20)14(19)17-10-16(2,21)7-8-23-4/h5-6,9,21H,7-8,10H2,1-4H3,(H,17,19)(H,18,20)/t16-/m0/s1
InChIKeyBQHBDQCZXCCTPT-INIZCTEOSA-N
XLogP1.56
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 90498386
N'-(5-chloro-2-methoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
CID 90523224
N'-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 71787385
N'-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 95984509
N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108513847
N-(2-methoxyethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 2876194
N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide
CID 103712986
N-(2-methoxy-5-methylphenyl)-3-methyl-3-(methylamino)butanamide
CID 110838289
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108515607
N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2-methoxy-5-methylphenyl)oxamide (CID 95984505) is N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2-methoxy-5-methylphenyl)oxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2-methoxy-5-methylphenyl)oxamide is COc1ccc(C)cc1NC(=O)C(=O)NC[C@@](C)(O)CCSC.
What is the InChIKey of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
The InChIKey is BQHBDQCZXCCTPT-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-11-5-6-13(22-3)12(9-11)18-15(20)14(19)17-10-16(2,21)7-8-23-4/h5-6,9,21H,7-8,10H2,1-4H3,(H,17,19)(H,18,20)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2-methoxy-5-methylphenyl)oxamide has a molecular weight of 340.45 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2-methoxy-5-methylphenyl)oxamide is sourced from PubChem (CID 95984505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).