N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide

C26H31N3O4S — CID 3401925

IUPACN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
SMILESO=C(CN(CCCN1CCOCC1)C(=O)c1cccs1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C26H31N3O4S/c30-25(29(20-23-9-4-15-33-23)19-22-7-2-1-3-8-22)21-28(26(31)24-10-5-18-34-24)12-6-11-27-13-16-32-17-14-27/h1-5,7-10,15,18H,6,11-14,16-17,19-21H2
InChIKeyOZUIVPDZKCAHRM-UHFFFAOYSA-N
MW481.62 g/mol
LogP3.73
Rot. Bonds11

About N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide (PubChem CID 3401925) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
PubChem CID3401925
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
SMILESO=C(CN(CCCN1CCOCC1)C(=O)c1cccs1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C26H31N3O4S/c30-25(29(20-23-9-4-15-33-23)19-22-7-2-1-3-8-22)21-28(26(31)24-10-5-18-34-24)12-6-11-27-13-16-32-17-14-27/h1-5,7-10,15,18H,6,11-14,16-17,19-21H2
InChIKeyOZUIVPDZKCAHRM-UHFFFAOYSA-N
XLogP3.73
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 42772936
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 3488894
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 4990910
N-benzyl-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 3539286
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 4118969
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 4098227
(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 6012187
N-benzyl-2-[(3-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4255945
N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 42701086
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide
CID 42773435
N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylsulfanylphenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]acetamide
CID 3373428
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 5048178

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide (CID 3401925) is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide is O=C(CN(CCCN1CCOCC1)C(=O)c1cccs1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The InChIKey is OZUIVPDZKCAHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c30-25(29(20-23-9-4-15-33-23)19-22-7-2-1-3-8-22)21-28(26(31)24-10-5-18-34-24)12-6-11-27-13-16-32-17-14-27/h1-5,7-10,15,18H,6,11-14,16-17,19-21H2.
What are the key properties of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide has a molecular weight of 481.62 g/mol, XLogP of 3.73, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 3401925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).