N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide

C25H30N2O4S — CID 4611746

IUPACN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide
SMILESCCOCCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)c1cccs1
InChIInChI=1S/C25H30N2O4S/c1-3-30-15-8-14-26(25(29)23-11-7-16-32-23)19-24(28)27(17-21-9-5-4-6-10-21)18-22-13-12-20(2)31-22/h4-7,9-13,16H,3,8,14-15,17-19H2,1-2H3
InChIKeyRAAAECCRLATGFQ-UHFFFAOYSA-N
MW454.59 g/mol
LogP4.75
Rot. Bonds12

About N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide (PubChem CID 4611746) has the molecular formula C25H30N2O4S and a molecular weight of 454.59 g/mol. Its IUPAC name is N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide
PubChem CID4611746
Molecular FormulaC25H30N2O4S
Molecular Weight454.59 g/mol
Exact Mass454.19
IUPAC NameN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide
SMILESCCOCCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)c1cccs1
InChIInChI=1S/C25H30N2O4S/c1-3-30-15-8-14-26(25(29)23-11-7-16-32-23)19-24(28)27(17-21-9-5-4-6-10-21)18-22-13-12-20(2)31-22/h4-7,9-13,16H,3,8,14-15,17-19H2,1-2H3
InChIKeyRAAAECCRLATGFQ-UHFFFAOYSA-N
XLogP4.75
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 42773085
N-benzyl-2-[3-ethoxypropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 42773091
ethyl 4-[[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-(3-ethoxypropyl)amino]-4-oxobutanoate
CID 4547725
N-(3-ethoxypropyl)-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4695356
N-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 5176280
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(3-ethoxypropyl)propanamide
CID 3408962
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)-4-ethylbenzamide
CID 4552625
2,4-dichloro-N-(3-ethoxypropyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3984440
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)-2-phenylacetamide
CID 5193233
3,4-dichloro-N-(3-ethoxypropyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 4645321
N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]butanamide
CID 4163452
N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 4140572

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide (CID 4611746) is N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide is CCOCCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)c1cccs1.
What is the InChIKey of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide?
The InChIKey is RAAAECCRLATGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4S/c1-3-30-15-8-14-26(25(29)23-11-7-16-32-23)19-24(28)27(17-21-9-5-4-6-10-21)18-22-13-12-20(2)31-22/h4-7,9-13,16H,3,8,14-15,17-19H2,1-2H3.
What are the key properties of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide?
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide has a molecular weight of 454.59 g/mol, XLogP of 4.75, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 4611746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).