1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea

C13H14N2OS — CID 1158597

IUPAC1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
SMILESC[C@H](NC(=O)Nc1ccccc1)c1cccs1
InChIInChI=1S/C13H14N2OS/c1-10(12-8-5-9-17-12)14-13(16)15-11-6-3-2-4-7-11/h2-10H,1H3,(H2,14,15,16)/t10-/m0/s1
InChIKeyAVXSCMMPYVDWQV-JTQLQIEISA-N
MW246.34 g/mol
LogP3.63
Rot. Bonds3

About 1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea

1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea (PubChem CID 1158597) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
PubChem CID1158597
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
SMILESC[C@H](NC(=O)Nc1ccccc1)c1cccs1
InChIInChI=1S/C13H14N2OS/c1-10(12-8-5-9-17-12)14-13(16)15-11-6-3-2-4-7-11/h2-10H,1H3,(H2,14,15,16)/t10-/m0/s1
InChIKeyAVXSCMMPYVDWQV-JTQLQIEISA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599
1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea
CID 47133131
2-bromo-5-(1-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 115296717
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid
CID 81409009
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
(2S)-3-methyl-2-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid
CID 61199612
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide
CID 36974814
(2R,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide
CID 7443725
(2S,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide
CID 7443716
phenyl N-(1-thiophen-2-ylethyl)carbamate
CID 60629917
(2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid
CID 107838444
2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid
CID 65265950

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea?
The IUPAC name of 1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea (CID 1158597) is 1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea is C[C@H](NC(=O)Nc1ccccc1)c1cccs1.
What is the InChIKey of 1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea?
The InChIKey is AVXSCMMPYVDWQV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10(12-8-5-9-17-12)14-13(16)15-11-6-3-2-4-7-11/h2-10H,1H3,(H2,14,15,16)/t10-/m0/s1.
What are the key properties of 1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea?
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea has a molecular weight of 246.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea is sourced from PubChem (CID 1158597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).