N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide

C20H24N2O3S — CID 34345609

IUPACN-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide
SMILESCCCOc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-12-25-18-7-5-4-6-17(18)22-20(24)14-26-13-19(23)21-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQDVMKAKFFCKPTF-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.09
Rot. Bonds9

About N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide

N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide (PubChem CID 34345609) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide
PubChem CID34345609
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide
SMILESCCCOc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-12-25-18-7-5-4-6-17(18)22-20(24)14-26-13-19(23)21-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQDVMKAKFFCKPTF-UHFFFAOYSA-N
XLogP4.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
CID 112793569
2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide
CID 42150419
N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1412036
2-anilino-N-(2-propoxyphenyl)acetamide
CID 51286142
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 112722694
N-(4-hydroxyphenyl)-N'-(2-propoxyphenyl)oxamide
CID 163646977
butyl 4-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 40883460
N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide
CID 34219891
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide?
The IUPAC name of N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide (CID 34345609) is N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide is CCCOc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide?
The InChIKey is QDVMKAKFFCKPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-12-25-18-7-5-4-6-17(18)22-20(24)14-26-13-19(23)21-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide?
N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide has a molecular weight of 372.49 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide is sourced from PubChem (CID 34345609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).