N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

C25H27FN2O4S — CID 3520558

IUPACN-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC2CCCO2)C(=O)c2ccco2)s1
InChIInChI=1S/C25H27FN2O4S/c1-18-6-11-22(33-18)16-27(14-19-7-9-20(26)10-8-19)24(29)17-28(15-21-4-2-12-31-21)25(30)23-5-3-13-32-23/h3,5-11,13,21H,2,4,12,14-17H2,1H3
InChIKeyBHSIHTIOMLSRTQ-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.64
Rot. Bonds9

About N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide (PubChem CID 3520558) has the molecular formula C25H27FN2O4S and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
PubChem CID3520558
Molecular FormulaC25H27FN2O4S
Molecular Weight470.57 g/mol
Exact Mass470.17
IUPAC NameN-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC2CCCO2)C(=O)c2ccco2)s1
InChIInChI=1S/C25H27FN2O4S/c1-18-6-11-22(33-18)16-27(14-19-7-9-20(26)10-8-19)24(29)17-28(15-21-4-2-12-31-21)25(30)23-5-3-13-32-23/h3,5-11,13,21H,2,4,12,14-17H2,1H3
InChIKeyBHSIHTIOMLSRTQ-UHFFFAOYSA-N
XLogP4.64
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3340847
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 4213089
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-chloro-N-(oxolan-2-ylmethyl)benzamide
CID 3261144
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 3267689
2-[benzenesulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 5010137
N-benzyl-2-[(4-ethylphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3503868
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)octanamide
CID 4023101
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 5011647
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 5049359
N-(cyclopropylmethyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 5173317
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethyl-N-(oxolan-2-ylmethyl)hexanamide
CID 4212597
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 5103992

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide (CID 3520558) is N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide is Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC2CCCO2)C(=O)c2ccco2)s1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The InChIKey is BHSIHTIOMLSRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O4S/c1-18-6-11-22(33-18)16-27(14-19-7-9-20(26)10-8-19)24(29)17-28(15-21-4-2-12-31-21)25(30)23-5-3-13-32-23/h3,5-11,13,21H,2,4,12,14-17H2,1H3.
What are the key properties of N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3520558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).