N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide

C21H26N2O3S — CID 34334963

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCCN(Cc1cccc(NC(=O)CCSc2ccc(OC)cc2)c1)C(C)=O
InChIInChI=1S/C21H26N2O3S/c1-4-23(16(2)24)15-17-6-5-7-18(14-17)22-21(25)12-13-27-20-10-8-19(26-3)9-11-20/h5-11,14H,4,12-13,15H2,1-3H3,(H,22,25)
InChIKeyYEUBXPSHLOPLKG-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.18
Rot. Bonds9

About N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 34334963) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID34334963
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCCN(Cc1cccc(NC(=O)CCSc2ccc(OC)cc2)c1)C(C)=O
InChIInChI=1S/C21H26N2O3S/c1-4-23(16(2)24)15-17-6-5-7-18(14-17)22-21(25)12-13-27-20-10-8-19(26-3)9-11-20/h5-11,14H,4,12-13,15H2,1-3H3,(H,22,25)
InChIKeyYEUBXPSHLOPLKG-UHFFFAOYSA-N
XLogP4.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 33101027
2-[[3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]phenyl]methylsulfanyl]acetic acid
CID 119240605
3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 29331739
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide
CID 38811561
N-(3-bromophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086503
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide
CID 55760971
3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide
CID 119438401
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 46440379
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 86986127
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 55873159
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide
CID 38810181

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide (CID 34334963) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide is CCN(Cc1cccc(NC(=O)CCSc2ccc(OC)cc2)c1)C(C)=O.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is YEUBXPSHLOPLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-23(16(2)24)15-17-6-5-7-18(14-17)22-21(25)12-13-27-20-10-8-19(26-3)9-11-20/h5-11,14H,4,12-13,15H2,1-3H3,(H,22,25).
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 386.52 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 34334963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).