N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

C22H29NO3S — CID 55747871

IUPACN-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCCCOc1ccc(C(C)NC(=O)CSCc2cccc(C)c2)cc1OC
InChIInChI=1S/C22H29NO3S/c1-5-11-26-20-10-9-19(13-21(20)25-4)17(3)23-22(24)15-27-14-18-8-6-7-16(2)12-18/h6-10,12-13,17H,5,11,14-15H2,1-4H3,(H,23,24)
InChIKeySZPVNBMDCVMIGV-UHFFFAOYSA-N
MW387.55 g/mol
LogP4.90
Rot. Bonds10

About N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 55747871) has the molecular formula C22H29NO3S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID55747871
Molecular FormulaC22H29NO3S
Molecular Weight387.55 g/mol
Exact Mass387.19
IUPAC NameN-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCCCOc1ccc(C(C)NC(=O)CSCc2cccc(C)c2)cc1OC
InChIInChI=1S/C22H29NO3S/c1-5-11-26-20-10-9-19(13-21(20)25-4)17(3)23-22(24)15-27-14-18-8-6-7-16(2)12-18/h6-10,12-13,17H,5,11,14-15H2,1-4H3,(H,23,24)
InChIKeySZPVNBMDCVMIGV-UHFFFAOYSA-N
XLogP4.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 132651277
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 55747934
3-methyl-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]pentanamide
CID 86976228
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 133217488
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92646579
N-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide
CID 71885691
2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 132659871
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 55748572
N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 78786783
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide
CID 55748506
2-[(3-methylphenyl)methylsulfanyl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103722961
3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide
CID 56581932

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 55747871) is N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is CCCOc1ccc(C(C)NC(=O)CSCc2cccc(C)c2)cc1OC.
What is the InChIKey of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is SZPVNBMDCVMIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3S/c1-5-11-26-20-10-9-19(13-21(20)25-4)17(3)23-22(24)15-27-14-18-8-6-7-16(2)12-18/h6-10,12-13,17H,5,11,14-15H2,1-4H3,(H,23,24).
What are the key properties of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 387.55 g/mol, XLogP of 4.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 55747871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).