2-(2-cyanophenoxy)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide

C22H20N2O3S — CID 55525855

IUPAC2-(2-cyanophenoxy)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)C(C)Oc2ccccc2C#N)cc1
InChIInChI=1S/C22H20N2O3S/c1-16(27-21-8-4-3-6-17(21)14-23)22(25)24(15-20-7-5-13-28-20)18-9-11-19(26-2)12-10-18/h3-13,16H,15H2,1-2H3
InChIKeyDHQFAOIGDIMXDK-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.63
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide

2-(2-cyanophenoxy)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 55525855) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID55525855
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name2-(2-cyanophenoxy)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)C(C)Oc2ccccc2C#N)cc1
InChIInChI=1S/C22H20N2O3S/c1-16(27-21-8-4-3-6-17(21)14-23)22(25)24(15-20-7-5-13-28-20)18-9-11-19(26-2)12-10-18/h3-13,16H,15H2,1-2H3
InChIKeyDHQFAOIGDIMXDK-UHFFFAOYSA-N
XLogP4.63
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanophenoxy)-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 51158213
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
CID 76858086
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134012847
2-(2-cyanophenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 31837477
methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate
CID 78884771
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
cis-(1R,2S)-2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129467519
N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17013553
N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 134008525
2-(4-methylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 67510388
(2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 38303758
2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 46546464

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide (CID 55525855) is 2-(2-cyanophenoxy)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide is COc1ccc(N(Cc2cccs2)C(=O)C(C)Oc2ccccc2C#N)cc1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is DHQFAOIGDIMXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-16(27-21-8-4-3-6-17(21)14-23)22(25)24(15-20-7-5-13-28-20)18-9-11-19(26-2)12-10-18/h3-13,16H,15H2,1-2H3.
What are the key properties of 2-(2-cyanophenoxy)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide?
2-(2-cyanophenoxy)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 392.48 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 55525855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).