N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C21H19NO3S — CID 134012847

IUPACN-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)C2Cc3ccccc3O2)cc1
InChIInChI=1S/C21H19NO3S/c1-24-17-10-8-16(9-11-17)22(14-18-6-4-12-26-18)21(23)20-13-15-5-2-3-7-19(15)25-20/h2-12,20H,13-14H2,1H3
InChIKeyIQOXUUSSUQESEO-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.29
Rot. Bonds5

About N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 134012847) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID134012847
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC NameN-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)C2Cc3ccccc3O2)cc1
InChIInChI=1S/C21H19NO3S/c1-24-17-10-8-16(9-11-17)22(14-18-6-4-12-26-18)21(23)20-13-15-5-2-3-7-19(15)25-20/h2-12,20H,13-14H2,1H3
InChIKeyIQOXUUSSUQESEO-UHFFFAOYSA-N
XLogP4.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129467519
(2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 124508136
(3S)-1-cyclopentyl-N-(4-methoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 9119491
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55757398
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 132502479
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
CID 76858086
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide
CID 55966655
N-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119688269
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8788912
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17421377
N-(4-methoxyphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8693164
2-(2-cyanophenoxy)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55525855

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 134012847) is N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is COc1ccc(N(Cc2cccs2)C(=O)C2Cc3ccccc3O2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is IQOXUUSSUQESEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-24-17-10-8-16(9-11-17)22(14-18-6-4-12-26-18)21(23)20-13-15-5-2-3-7-19(15)25-20/h2-12,20H,13-14H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 134012847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).