N,N-bis[(4-methoxyphenyl)methyl]thiophene-2-carboxamide

C21H21NO3S — CID 2741087

IUPACN,N-bis[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cccs2)cc1
InChIInChI=1S/C21H21NO3S/c1-24-18-9-5-16(6-10-18)14-22(21(23)20-4-3-13-26-20)15-17-7-11-19(25-2)12-8-17/h3-13H,14-15H2,1-2H3
InChIKeyUIPKGYJCFIYFAO-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.61
Rot. Bonds7

About N,N-bis[(4-methoxyphenyl)methyl]thiophene-2-carboxamide

N,N-bis[(4-methoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 2741087) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID2741087
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cccs2)cc1
InChIInChI=1S/C21H21NO3S/c1-24-18-9-5-16(6-10-18)14-22(21(23)20-4-3-13-26-20)15-17-7-11-19(25-2)12-8-17/h3-13H,14-15H2,1-2H3
InChIKeyUIPKGYJCFIYFAO-UHFFFAOYSA-N
XLogP4.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 728907
N-(2-Aminoethyl)-N-(4-(benzyloxy)-3-methoxybenzyl)thiophene-2-carboxamide
CID 11675630
Thiophene derivative, 3f
CID 25023799
N-(4-Methoxy-benzyl)-2-thiophen-2-yl-acetamide
CID 670019
N-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5147612
N-(4-Methylphenyl)-4-(propan-2-yloxy)-N-[(thiophen-2-YL)methyl]benzamide
CID 16015899
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 1246974
(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3-methylthiophen-2-yl)methanone
CID 1954203
N-[2-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2146379
4-methoxy-N-{2-[(2-methylphenyl)thio]ethyl}benzamide
CID 2216639
N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2477202
1-[4-(4-Methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-yl]ethan-1-one
CID 2739545

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]thiophene-2-carboxamide (CID 2741087) is N,N-bis[(4-methoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]thiophene-2-carboxamide is COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cccs2)cc1.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is UIPKGYJCFIYFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-24-18-9-5-16(6-10-18)14-22(21(23)20-4-3-13-26-20)15-17-7-11-19(25-2)12-8-17/h3-13H,14-15H2,1-2H3.
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
N,N-bis[(4-methoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 2741087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).