1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea

C18H24FN3O2S — CID 51953945

IUPAC1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea
SMILESCCN(CC)[C@@H](CNC(=O)Nc1ccc(OC)c(F)c1)c1ccsc1
InChIInChI=1S/C18H24FN3O2S/c1-4-22(5-2)16(13-8-9-25-12-13)11-20-18(23)21-14-6-7-17(24-3)15(19)10-14/h6-10,12,16H,4-5,11H2,1-3H3,(H2,20,21,23)/t16-/m0/s1
InChIKeyHRQLZOXQFWGHDF-INIZCTEOSA-N
MW365.47 g/mol
LogP4.10
Rot. Bonds8

About 1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea

1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea (PubChem CID 51953945) has the molecular formula C18H24FN3O2S and a molecular weight of 365.47 g/mol. Its IUPAC name is 1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea
PubChem CID51953945
Molecular FormulaC18H24FN3O2S
Molecular Weight365.47 g/mol
Exact Mass365.16
IUPAC Name1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea
SMILESCCN(CC)[C@@H](CNC(=O)Nc1ccc(OC)c(F)c1)c1ccsc1
InChIInChI=1S/C18H24FN3O2S/c1-4-22(5-2)16(13-8-9-25-12-13)11-20-18(23)21-14-6-7-17(24-3)15(19)10-14/h6-10,12,16H,4-5,11H2,1-3H3,(H2,20,21,23)/t16-/m0/s1
InChIKeyHRQLZOXQFWGHDF-INIZCTEOSA-N
XLogP4.10
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30606334
1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-fluoro-5-nitrophenyl)urea
CID 47050503
(2S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107838410
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55660126
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78868688
1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51953978
1-(1,3-benzodioxol-5-yl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30606295
1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30606344
N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide
CID 55745225
1-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-[2-(diethylamino)-2-thiophen-3-ylethyl]urea
CID 51116798
1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30521007

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea?
The IUPAC name of 1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea (CID 51953945) is 1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea.
What is the SMILES notation for 1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea?
The canonical SMILES for 1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea is CCN(CC)[C@@H](CNC(=O)Nc1ccc(OC)c(F)c1)c1ccsc1.
What is the InChIKey of 1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea?
The InChIKey is HRQLZOXQFWGHDF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24FN3O2S/c1-4-22(5-2)16(13-8-9-25-12-13)11-20-18(23)21-14-6-7-17(24-3)15(19)10-14/h6-10,12,16H,4-5,11H2,1-3H3,(H2,20,21,23)/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea?
1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea has a molecular weight of 365.47 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea is sourced from PubChem (CID 51953945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).