N-[4-[2-(4-methoxyphenoxy)ethyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide

C19H24N2O4S — CID 31285164

IUPACN-[4-[2-(4-methoxyphenoxy)ethyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)CCCNC(=O)c2ccsc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-21(11-12-25-17-7-5-16(24-2)6-8-17)18(22)4-3-10-20-19(23)15-9-13-26-14-15/h5-9,13-14H,3-4,10-12H2,1-2H3,(H,20,23)
InChIKeyLDPZVWJFDPNYIY-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.80
Rot. Bonds10

About N-[4-[2-(4-methoxyphenoxy)ethyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide

N-[4-[2-(4-methoxyphenoxy)ethyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 31285164) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[4-[2-(4-methoxyphenoxy)ethyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-methoxyphenoxy)ethyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide
PubChem CID31285164
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[4-[2-(4-methoxyphenoxy)ethyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)CCCNC(=O)c2ccsc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-21(11-12-25-17-7-5-16(24-2)6-8-17)18(22)4-3-10-20-19(23)15-9-13-26-14-15/h5-9,13-14H,3-4,10-12H2,1-2H3,(H,20,23)
InChIKeyLDPZVWJFDPNYIY-UHFFFAOYSA-N
XLogP2.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide
CID 9429637
N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31285107
N-[4-[(4-bromophenyl)methyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 78802835
N-[4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 78803151
N-[3-[methoxy(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 60656257
methyl 2-[propan-2-yl-[4-(thiophene-3-carbonylamino)butanoyl]amino]acetate
CID 78877964
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54868859
1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea
CID 86921178
N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 115772753
N-(2-hydroxyethyl)-3-(4-methoxyphenoxy)-N-methylpropanamide
CID 60652618
N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide
CID 55896935

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methoxyphenoxy)ethyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[2-(4-methoxyphenoxy)ethyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide (CID 31285164) is N-[4-[2-(4-methoxyphenoxy)ethyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[2-(4-methoxyphenoxy)ethyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[2-(4-methoxyphenoxy)ethyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide is COc1ccc(OCCN(C)C(=O)CCCNC(=O)c2ccsc2)cc1.
What is the InChIKey of N-[4-[2-(4-methoxyphenoxy)ethyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is LDPZVWJFDPNYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-21(11-12-25-17-7-5-16(24-2)6-8-17)18(22)4-3-10-20-19(23)15-9-13-26-14-15/h5-9,13-14H,3-4,10-12H2,1-2H3,(H,20,23).
What are the key properties of N-[4-[2-(4-methoxyphenoxy)ethyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide?
N-[4-[2-(4-methoxyphenoxy)ethyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methoxyphenoxy)ethyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 31285164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).