1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea

C15H17ClN2O2S — CID 99601536

IUPAC1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCO[C@H](CNC(=O)NCc1cccs1)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2O2S/c1-20-14(12-6-2-3-7-13(12)16)10-18-15(19)17-9-11-5-4-8-21-11/h2-8,14H,9-10H2,1H3,(H2,17,18,19)/t14-/m1/s1
InChIKeyBKSICJDIYKZUFZ-CQSZACIVSA-N
MW324.83 g/mol
LogP3.59
Rot. Bonds6

About 1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea

1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 99601536) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID99601536
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCO[C@H](CNC(=O)NCc1cccs1)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2O2S/c1-20-14(12-6-2-3-7-13(12)16)10-18-15(19)17-9-11-5-4-8-21-11/h2-8,14H,9-10H2,1H3,(H2,17,18,19)/t14-/m1/s1
InChIKeyBKSICJDIYKZUFZ-CQSZACIVSA-N
XLogP3.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
CID 99876553
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
CID 99593692
1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
CID 99876265
N-[2-(2-chlorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90623771
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 38159170
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 99698254
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide
CID 90623686
4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
CID 99876156
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 50953100
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-naphthalen-1-ylacetamide
CID 99876133

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea (CID 99601536) is 1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea is CO[C@H](CNC(=O)NCc1cccs1)c1ccccc1Cl.
What is the InChIKey of 1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is BKSICJDIYKZUFZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-20-14(12-6-2-3-7-13(12)16)10-18-15(19)17-9-11-5-4-8-21-11/h2-8,14H,9-10H2,1H3,(H2,17,18,19)/t14-/m1/s1.
What are the key properties of 1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea?
1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 324.83 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 99601536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).