N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide

C21H20FNO2S — CID 112761159

IUPACN-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCSc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C21H20FNO2S/c22-18-8-10-20(11-9-18)26-14-12-21(24)23(16-19-7-4-13-25-19)15-17-5-2-1-3-6-17/h1-11,13H,12,14-16H2
InChIKeyPXFIXSKQOSUSSC-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.13
Rot. Bonds8

About N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide

N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide (PubChem CID 112761159) has the molecular formula C21H20FNO2S and a molecular weight of 369.46 g/mol. Its IUPAC name is N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
PubChem CID112761159
Molecular FormulaC21H20FNO2S
Molecular Weight369.46 g/mol
Exact Mass369.12
IUPAC NameN-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCSc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C21H20FNO2S/c22-18-8-10-20(11-9-18)26-14-12-21(24)23(16-19-7-4-13-25-19)15-17-5-2-1-3-6-17/h1-11,13H,12,14-16H2
InChIKeyPXFIXSKQOSUSSC-UHFFFAOYSA-N
XLogP5.13
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 112760111
2-amino-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 39362089
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(3-methoxypropyl)acetamide
CID 3675725
3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide
CID 60567081
N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 37429112
2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767047
N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 37428744
N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide
CID 134013428
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 42664764
N-benzyl-N-(furan-2-ylmethyl)-2-[(2-phenylsulfanylacetyl)-prop-2-enylamino]acetamide
CID 3634552
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 42773483
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide (CID 112761159) is N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide is O=C(CCSc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
The InChIKey is PXFIXSKQOSUSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2S/c22-18-8-10-20(11-9-18)26-14-12-21(24)23(16-19-7-4-13-25-19)15-17-5-2-1-3-6-17/h1-11,13H,12,14-16H2.
What are the key properties of N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide has a molecular weight of 369.46 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 112761159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).