1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea

C15H17ClN2O3S — CID 29023179

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea
SMILESCOc1cc(OC)c(NC(=O)N[C@@H](C)c2cccs2)cc1Cl
InChIInChI=1S/C15H17ClN2O3S/c1-9(14-5-4-6-22-14)17-15(19)18-11-7-10(16)12(20-2)8-13(11)21-3/h4-9H,1-3H3,(H2,17,18,19)/t9-/m0/s1
InChIKeyKRJYSGUYKVLIST-VIFPVBQESA-N
MW340.83 g/mol
LogP4.30
Rot. Bonds5

About 1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea

1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea (PubChem CID 29023179) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea
PubChem CID29023179
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea
SMILESCOc1cc(OC)c(NC(=O)N[C@@H](C)c2cccs2)cc1Cl
InChIInChI=1S/C15H17ClN2O3S/c1-9(14-5-4-6-22-14)17-15(19)18-11-7-10(16)12(20-2)8-13(11)21-3/h4-9H,1-3H3,(H2,17,18,19)/t9-/m0/s1
InChIKeyKRJYSGUYKVLIST-VIFPVBQESA-N
XLogP4.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea
CID 17181621
1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea
CID 47133061
1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea
CID 55697257
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
CID 62639099
ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate
CID 3289741
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea
CID 108988820
1-(5-chloro-2,4-dimethoxyphenyl)-3-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]urea
CID 174222135
1-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 1158597
methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate
CID 112616741
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7918061

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea (CID 29023179) is 1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea is COc1cc(OC)c(NC(=O)N[C@@H](C)c2cccs2)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea?
The InChIKey is KRJYSGUYKVLIST-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17ClN2O3S/c1-9(14-5-4-6-22-14)17-15(19)18-11-7-10(16)12(20-2)8-13(11)21-3/h4-9H,1-3H3,(H2,17,18,19)/t9-/m0/s1.
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea?
1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea has a molecular weight of 340.83 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea is sourced from PubChem (CID 29023179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).