N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide

C18H23NO3S — CID 131946745

IUPACN-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide
SMILESCOCCCN(Cc1cccc(OC)c1)C(=O)c1sccc1C
InChIInChI=1S/C18H23NO3S/c1-14-8-11-23-17(14)18(20)19(9-5-10-21-2)13-15-6-4-7-16(12-15)22-3/h4,6-8,11-12H,5,9-10,13H2,1-3H3
InChIKeyTTZLFZAXKSTAET-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.74
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide

N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide (PubChem CID 131946745) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide
PubChem CID131946745
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide
SMILESCOCCCN(Cc1cccc(OC)c1)C(=O)c1sccc1C
InChIInChI=1S/C18H23NO3S/c1-14-8-11-23-17(14)18(20)19(9-5-10-21-2)13-15-6-4-7-16(12-15)22-3/h4,6-8,11-12H,5,9-10,13H2,1-3H3
InChIKeyTTZLFZAXKSTAET-UHFFFAOYSA-N
XLogP3.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2-methylpropanamide
CID 22954099
N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide
CID 4098607
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(3-methoxypropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 5064445
N-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylpyridine-2-carboxamide
CID 131912051
3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 27517905
N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide
CID 2212242
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 90496752
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)octanamide
CID 5220571
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615
3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95050157
4-fluoro-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 5077236
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(3-methoxypropyl)benzamide
CID 46008413

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide (CID 131946745) is N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide is COCCCN(Cc1cccc(OC)c1)C(=O)c1sccc1C.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide?
The InChIKey is TTZLFZAXKSTAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-14-8-11-23-17(14)18(20)19(9-5-10-21-2)13-15-6-4-7-16(12-15)22-3/h4,6-8,11-12H,5,9-10,13H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide has a molecular weight of 333.45 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 131946745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).