N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide

C22H24N2O3S — CID 11675630

IUPACN-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1cc(CN(CCN)C(=O)c2cccs2)ccc1OCc1ccccc1
InChIInChI=1S/C22H24N2O3S/c1-26-20-14-18(9-10-19(20)27-16-17-6-3-2-4-7-17)15-24(12-11-23)22(25)21-8-5-13-28-21/h2-10,13-14H,11-12,15-16,23H2,1H3
InChIKeyUOGGWHBYFVBUIY-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.94
Rot. Bonds9

About N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide

N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 11675630) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID11675630
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1cc(CN(CCN)C(=O)c2cccs2)ccc1OCc1ccccc1
InChIInChI=1S/C22H24N2O3S/c1-26-20-14-18(9-10-19(20)27-16-17-6-3-2-4-7-17)15-24(12-11-23)22(25)21-8-5-13-28-21/h2-10,13-14H,11-12,15-16,23H2,1H3
InChIKeyUOGGWHBYFVBUIY-UHFFFAOYSA-N
XLogP3.94
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide (CID 11675630) is N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide is COc1cc(CN(CCN)C(=O)c2cccs2)ccc1OCc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is UOGGWHBYFVBUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-26-20-14-18(9-10-19(20)27-16-17-6-3-2-4-7-17)15-24(12-11-23)22(25)21-8-5-13-28-21/h2-10,13-14H,11-12,15-16,23H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide?
N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 11675630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).