3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide

C20H26N2O3S — CID 119438401

IUPAC3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide
SMILESCCNCc1cccc(NC(=O)CCSc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H26N2O3S/c1-4-21-14-15-6-5-7-16(12-15)22-20(23)10-11-26-17-8-9-18(24-2)19(13-17)25-3/h5-9,12-13,21H,4,10-11,14H2,1-3H3,(H,22,23)
InChIKeyBVEZRWKGELVTAB-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.93
Rot. Bonds10

About 3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide

3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide (PubChem CID 119438401) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide
PubChem CID119438401
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide
SMILESCCNCc1cccc(NC(=O)CCSc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H26N2O3S/c1-4-21-14-15-6-5-7-16(12-15)22-20(23)10-11-26-17-8-9-18(24-2)19(13-17)25-3/h5-9,12-13,21H,4,10-11,14H2,1-3H3,(H,22,23)
InChIKeyBVEZRWKGELVTAB-UHFFFAOYSA-N
XLogP3.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[3-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]phenyl]propanoic acid
CID 120613867
2-(3,4-dimethoxyphenyl)-N-[3-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119438239
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[3-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119438388
N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 119419905
N-[3-(ethylaminomethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119438032
N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 33101027
N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 119438264
N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 46769269
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 34334963
2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide
CID 119438522
2-[[3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]phenyl]methylsulfanyl]acetic acid
CID 119240605
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide (CID 119438401) is 3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide is CCNCc1cccc(NC(=O)CCSc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide?
The InChIKey is BVEZRWKGELVTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-21-14-15-6-5-7-16(12-15)22-20(23)10-11-26-17-8-9-18(24-2)19(13-17)25-3/h5-9,12-13,21H,4,10-11,14H2,1-3H3,(H,22,23).
What are the key properties of 3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide?
3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide has a molecular weight of 374.51 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide is sourced from PubChem (CID 119438401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).