N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide

C18H22N2O2S — CID 86839848

IUPACN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
SMILESCCN(Cc1ccccc1NC(=O)Cc1ccc(C)s1)C(C)=O
InChIInChI=1S/C18H22N2O2S/c1-4-20(14(3)21)12-15-7-5-6-8-17(15)19-18(22)11-16-10-9-13(2)23-16/h5-10H,4,11-12H2,1-3H3,(H,19,22)
InChIKeyMDMNDNJEWWGUCG-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.61
Rot. Bonds6

About N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide (PubChem CID 86839848) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
PubChem CID86839848
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
SMILESCCN(Cc1ccccc1NC(=O)Cc1ccc(C)s1)C(C)=O
InChIInChI=1S/C18H22N2O2S/c1-4-20(14(3)21)12-15-7-5-6-8-17(15)19-18(22)11-16-10-9-13(2)23-16/h5-10H,4,11-12H2,1-3H3,(H,19,22)
InChIKeyMDMNDNJEWWGUCG-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
CID 119439132
N-ethyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 139526737
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
CID 119294565
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide
CID 86981703
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 55661305
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 34714029
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119732850
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide
CID 60553266
2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49278693
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide
CID 120623542
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 46434978
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide
CID 86983777

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide?
The IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide (CID 86839848) is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide?
The canonical SMILES for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide is CCN(Cc1ccccc1NC(=O)Cc1ccc(C)s1)C(C)=O.
What is the InChIKey of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide?
The InChIKey is MDMNDNJEWWGUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-4-20(14(3)21)12-15-7-5-6-8-17(15)19-18(22)11-16-10-9-13(2)23-16/h5-10H,4,11-12H2,1-3H3,(H,19,22).
What are the key properties of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide?
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide is sourced from PubChem (CID 86839848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).