1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea

C16H21N3O3S — CID 71865561

IUPAC1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea
SMILESCN(C)C(CNC(=O)Nc1ccccc1S(C)=O)c1ccco1
InChIInChI=1S/C16H21N3O3S/c1-19(2)13(14-8-6-10-22-14)11-17-16(20)18-12-7-4-5-9-15(12)23(3)21/h4-10,13H,11H2,1-3H3,(H2,17,18,20)
InChIKeyPTMXPAYBCUHNLI-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.44
Rot. Bonds6

About 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea (PubChem CID 71865561) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea
PubChem CID71865561
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea
SMILESCN(C)C(CNC(=O)Nc1ccccc1S(C)=O)c1ccco1
InChIInChI=1S/C16H21N3O3S/c1-19(2)13(14-8-6-10-22-14)11-17-16(20)18-12-7-4-5-9-15(12)23(3)21/h4-10,13H,11H2,1-3H3,(H2,17,18,20)
InChIKeyPTMXPAYBCUHNLI-UHFFFAOYSA-N
XLogP2.44
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
CID 17494246
3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 60543252
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
1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 84515229
1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 78839937
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 110892196
1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 47216311
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea
CID 134062767
1-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[2-(methoxymethyl)phenyl]urea
CID 95158130
1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60543399

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea (CID 71865561) is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea is CN(C)C(CNC(=O)Nc1ccccc1S(C)=O)c1ccco1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea?
The InChIKey is PTMXPAYBCUHNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-19(2)13(14-8-6-10-22-14)11-17-16(20)18-12-7-4-5-9-15(12)23(3)21/h4-10,13H,11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea?
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea has a molecular weight of 335.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea is sourced from PubChem (CID 71865561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).