1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea

C14H15ClN2OS — CID 17181621

IUPAC1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea
SMILESCc1ccc(Cl)cc1NC(=O)NC(C)c1cccs1
InChIInChI=1S/C14H15ClN2OS/c1-9-5-6-11(15)8-12(9)17-14(18)16-10(2)13-4-3-7-19-13/h3-8,10H,1-2H3,(H2,16,17,18)
InChIKeyKMLAYXSCTXESEZ-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.59
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea

1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea (PubChem CID 17181621) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea
PubChem CID17181621
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea
SMILESCc1ccc(Cl)cc1NC(=O)NC(C)c1cccs1
InChIInChI=1S/C14H15ClN2OS/c1-9-5-6-11(15)8-12(9)17-14(18)16-10(2)13-4-3-7-19-13/h3-8,10H,1-2H3,(H2,16,17,18)
InChIKeyKMLAYXSCTXESEZ-UHFFFAOYSA-N
XLogP4.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide
CID 8791826
5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43109746
1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea
CID 47133061
(2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate
CID 7679282
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 29023179
1-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 1158597
4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43093280
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637
(2S)-N-(5-chloro-2-methylphenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 8502241

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea (CID 17181621) is 1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea is Cc1ccc(Cl)cc1NC(=O)NC(C)c1cccs1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea?
The InChIKey is KMLAYXSCTXESEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9-5-6-11(15)8-12(9)17-14(18)16-10(2)13-4-3-7-19-13/h3-8,10H,1-2H3,(H2,16,17,18).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea?
1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea has a molecular weight of 294.81 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea is sourced from PubChem (CID 17181621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).