1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea

C16H21FN4O4S — CID 74238570

IUPAC1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea
SMILESCN(C)C(CNC(=O)Nc1cc(NS(C)(=O)=O)ccc1F)c1ccco1
InChIInChI=1S/C16H21FN4O4S/c1-21(2)14(15-5-4-8-25-15)10-18-16(22)19-13-9-11(6-7-12(13)17)20-26(3,23)24/h4-9,14,20H,10H2,1-3H3,(H2,18,19,22)
InChIKeyLZALRFFBJDQMRT-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.21
Rot. Bonds7

About 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea (PubChem CID 74238570) has the molecular formula C16H21FN4O4S and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea
PubChem CID74238570
Molecular FormulaC16H21FN4O4S
Molecular Weight384.43 g/mol
Exact Mass384.13
IUPAC Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea
SMILESCN(C)C(CNC(=O)Nc1cc(NS(C)(=O)=O)ccc1F)c1ccco1
InChIInChI=1S/C16H21FN4O4S/c1-21(2)14(15-5-4-8-25-15)10-18-16(22)19-13-9-11(6-7-12(13)17)20-26(3,23)24/h4-9,14,20H,10H2,1-3H3,(H2,18,19,22)
InChIKeyLZALRFFBJDQMRT-UHFFFAOYSA-N
XLogP2.21
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea with MolForge

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Related Compounds

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
CID 17494246
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 78839937
1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 84515229
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea
CID 71865561
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea
CID 134062767
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide
CID 41454116
3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 60543252
1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60543399
methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate
CID 78879195
1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 167985721
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea (CID 74238570) is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea is CN(C)C(CNC(=O)Nc1cc(NS(C)(=O)=O)ccc1F)c1ccco1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea?
The InChIKey is LZALRFFBJDQMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O4S/c1-21(2)14(15-5-4-8-25-15)10-18-16(22)19-13-9-11(6-7-12(13)17)20-26(3,23)24/h4-9,14,20H,10H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea?
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea has a molecular weight of 384.43 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-fluoro-5-(methanesulfonamido)phenyl]urea is sourced from PubChem (CID 74238570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).