N-[[2-(methoxymethyl)phenyl]methyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide

C18H21NO3S — CID 32603425

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCOCc1ccccc1CNC(=O)CCC(=O)c1ccc(C)s1
InChIInChI=1S/C18H21NO3S/c1-13-7-9-17(23-13)16(20)8-10-18(21)19-11-14-5-3-4-6-15(14)12-22-2/h3-7,9H,8,10-12H2,1-2H3,(H,19,21)
InChIKeyJJNCQOGFTLHGLO-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.48
Rot. Bonds8

About N-[[2-(methoxymethyl)phenyl]methyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide

N-[[2-(methoxymethyl)phenyl]methyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide (PubChem CID 32603425) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
PubChem CID32603425
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCOCc1ccccc1CNC(=O)CCC(=O)c1ccc(C)s1
InChIInChI=1S/C18H21NO3S/c1-13-7-9-17(23-13)16(20)8-10-18(21)19-11-14-5-3-4-6-15(14)12-22-2/h3-7,9H,8,10-12H2,1-2H3,(H,19,21)
InChIKeyJJNCQOGFTLHGLO-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide
CID 60924992
N-[[2-(ethoxymethyl)phenyl]methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 43062586
N-[1-(2-methoxyphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 24544894
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55659982
5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18114779
N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 32606836
N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 32605316
4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 86980180
N-[2-(4-methoxyphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18107464
trans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 95159086
2-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065353

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide (CID 32603425) is N-[[2-(methoxymethyl)phenyl]methyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide is COCc1ccccc1CNC(=O)CCC(=O)c1ccc(C)s1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The InChIKey is JJNCQOGFTLHGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-13-7-9-17(23-13)16(20)8-10-18(21)19-11-14-5-3-4-6-15(14)12-22-2/h3-7,9H,8,10-12H2,1-2H3,(H,19,21).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
N-[[2-(methoxymethyl)phenyl]methyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide has a molecular weight of 331.44 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 32603425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).