N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide

C24H32N2O4S — CID 55713486

IUPACN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCOc1cc(CNC(=O)CSCC(=O)Nc2cccc(C)c2)ccc1OCCC(C)C
InChIInChI=1S/C24H32N2O4S/c1-17(2)10-11-30-21-9-8-19(13-22(21)29-4)14-25-23(27)15-31-16-24(28)26-20-7-5-6-18(3)12-20/h5-9,12-13,17H,10-11,14-16H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyABZUWRGHWLQSTL-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.42
Rot. Bonds12

About N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide

N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 55713486) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID55713486
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC NameN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCOc1cc(CNC(=O)CSCC(=O)Nc2cccc(C)c2)ccc1OCCC(C)C
InChIInChI=1S/C24H32N2O4S/c1-17(2)10-11-30-21-9-8-19(13-22(21)29-4)14-25-23(27)15-31-16-24(28)26-20-7-5-6-18(3)12-20/h5-9,12-13,17H,10-11,14-16H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyABZUWRGHWLQSTL-UHFFFAOYSA-N
XLogP4.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 7973630
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
CID 54776536
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide
CID 54776657
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 55713345
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9241198
N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
CID 55713571
3-(1,3-dioxoisoindol-2-yl)-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]propanamide
CID 55725283
2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
CID 54786541
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 60616453
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(3-methylphenyl)methyl]acetamide
CID 34165656
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 43011556
N-[3-(4-methoxyphenyl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 55920650

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide (CID 55713486) is N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide is COc1cc(CNC(=O)CSCC(=O)Nc2cccc(C)c2)ccc1OCCC(C)C.
What is the InChIKey of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is ABZUWRGHWLQSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-17(2)10-11-30-21-9-8-19(13-22(21)29-4)14-25-23(27)15-31-16-24(28)26-20-7-5-6-18(3)12-20/h5-9,12-13,17H,10-11,14-16H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide?
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 444.60 g/mol, XLogP of 4.42, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 55713486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).