1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea

C16H20FN3OS — CID 30606373

IUPAC1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCN(C)[C@H](CNC(=O)NCc1ccc(F)cc1)c1ccsc1
InChIInChI=1S/C16H20FN3OS/c1-20(2)15(13-7-8-22-11-13)10-19-16(21)18-9-12-3-5-14(17)6-4-12/h3-8,11,15H,9-10H2,1-2H3,(H2,18,19,21)/t15-/m1/s1
InChIKeyOUKRPBGKDPQFEK-OAHLLOKOSA-N
MW321.42 g/mol
LogP2.99
Rot. Bonds6

About 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea

1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 30606373) has the molecular formula C16H20FN3OS and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID30606373
Molecular FormulaC16H20FN3OS
Molecular Weight321.42 g/mol
Exact Mass321.13
IUPAC Name1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCN(C)[C@H](CNC(=O)NCc1ccc(F)cc1)c1ccsc1
InChIInChI=1S/C16H20FN3OS/c1-20(2)15(13-7-8-22-11-13)10-19-16(21)18-9-12-3-5-14(17)6-4-12/h3-8,11,15H,9-10H2,1-2H3,(H2,18,19,21)/t15-/m1/s1
InChIKeyOUKRPBGKDPQFEK-OAHLLOKOSA-N
XLogP2.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea
CID 94027034
1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea
CID 30521535
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2-fluorophenyl)acetamide
CID 32631324
2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide
CID 51116703
1-[(3,4-difluorophenyl)methyl]-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-methylurea
CID 55589415
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 94202119
N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide
CID 16932111
1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea
CID 32838068
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095
1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30606334
1-[(4-cyclopropyl-2-methylphenyl)methyl]-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 166367972

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea (CID 30606373) is 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea is CN(C)[C@H](CNC(=O)NCc1ccc(F)cc1)c1ccsc1.
What is the InChIKey of 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is OUKRPBGKDPQFEK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20FN3OS/c1-20(2)15(13-7-8-22-11-13)10-19-16(21)18-9-12-3-5-14(17)6-4-12/h3-8,11,15H,9-10H2,1-2H3,(H2,18,19,21)/t15-/m1/s1.
What are the key properties of 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea?
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 321.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 30606373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).