N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide

C23H25FN2O3S — CID 4577131

IUPACN-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
SMILESCC(C)CN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)c1ccco1
InChIInChI=1S/C23H25FN2O3S/c1-17(2)13-26(23(28)21-6-3-11-29-21)16-22(27)25(15-20-5-4-12-30-20)14-18-7-9-19(24)10-8-18/h3-12,17H,13-16H2,1-2H3
InChIKeySCKUSVOYMFHKSE-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.81
Rot. Bonds9

About N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide

N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide (PubChem CID 4577131) has the molecular formula C23H25FN2O3S and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
PubChem CID4577131
Molecular FormulaC23H25FN2O3S
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC NameN-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
SMILESCC(C)CN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)c1ccco1
InChIInChI=1S/C23H25FN2O3S/c1-17(2)13-26(23(28)21-6-3-11-29-21)16-22(27)25(15-20-5-4-12-30-20)14-18-7-9-19(24)10-8-18/h3-12,17H,13-16H2,1-2H3
InChIKeySCKUSVOYMFHKSE-UHFFFAOYSA-N
XLogP4.81
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 5050137
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide
CID 4153612
N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3354998
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 4153608
N,N-bis(thiophen-2-ylmethyl)furan-2-carboxamide
CID 60682593
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide
CID 4596122
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 4155856
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 4564565
N-butan-2-yl-4-tert-butyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 5098639
2-[butan-2-yl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4295198
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 3581124
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 62734384

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide (CID 4577131) is N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide is CC(C)CN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)c1ccco1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide?
The InChIKey is SCKUSVOYMFHKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S/c1-17(2)13-26(23(28)21-6-3-11-29-21)16-22(27)25(15-20-5-4-12-30-20)14-18-7-9-19(24)10-8-18/h3-12,17H,13-16H2,1-2H3.
What are the key properties of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide?
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide is sourced from PubChem (CID 4577131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).