1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea

C17H21FN2O4S — CID 110315018

IUPAC1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea
SMILESCCN(CC)C(=O)NCC(c1ccco1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O4S/c1-3-20(4-2)17(21)19-12-16(15-6-5-11-24-15)25(22,23)14-9-7-13(18)8-10-14/h5-11,16H,3-4,12H2,1-2H3,(H,19,21)
InChIKeyXPRQDACIAHRUOS-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.99
Rot. Bonds7

About 1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea

1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea (PubChem CID 110315018) has the molecular formula C17H21FN2O4S and a molecular weight of 368.43 g/mol. Its IUPAC name is 1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea
PubChem CID110315018
Molecular FormulaC17H21FN2O4S
Molecular Weight368.43 g/mol
Exact Mass368.12
IUPAC Name1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea
SMILESCCN(CC)C(=O)NCC(c1ccco1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O4S/c1-3-20(4-2)17(21)19-12-16(15-6-5-11-24-15)25(22,23)14-9-7-13(18)8-10-14/h5-11,16H,3-4,12H2,1-2H3,(H,19,21)
InChIKeyXPRQDACIAHRUOS-UHFFFAOYSA-N
XLogP2.99
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
CID 7268088
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide
CID 7268411
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555084
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
CID 7268216
phenyl N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]carbamate
CID 7268237
N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide
CID 18574141
N-[2-(4-fluorophenyl)ethyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555072
3-chloro-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 7268253
3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 7268254
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(pyridin-4-ylmethyl)oxamide
CID 27555108
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555078

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea?
The IUPAC name of 1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea (CID 110315018) is 1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea is CCN(CC)C(=O)NCC(c1ccco1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea?
The InChIKey is XPRQDACIAHRUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4S/c1-3-20(4-2)17(21)19-12-16(15-6-5-11-24-15)25(22,23)14-9-7-13(18)8-10-14/h5-11,16H,3-4,12H2,1-2H3,(H,19,21).
What are the key properties of 1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea?
1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea has a molecular weight of 368.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 110315018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).