1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea

C17H21ClN2O3S — CID 22575164

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea
SMILESCOc1cc(OC)c(NC(=O)NCCc2csc(C)c2C)cc1Cl
InChIInChI=1S/C17H21ClN2O3S/c1-10-11(2)24-9-12(10)5-6-19-17(21)20-14-7-13(18)15(22-3)8-16(14)23-4/h7-9H,5-6H2,1-4H3,(H2,19,20,21)
InChIKeyPRFZVECAHILUFS-UHFFFAOYSA-N
MW368.89 g/mol
LogP4.40
Rot. Bonds6

About 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea

1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea (PubChem CID 22575164) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea
PubChem CID22575164
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea
SMILESCOc1cc(OC)c(NC(=O)NCCc2csc(C)c2C)cc1Cl
InChIInChI=1S/C17H21ClN2O3S/c1-10-11(2)24-9-12(10)5-6-19-17(21)20-14-7-13(18)15(22-3)8-16(14)23-4/h7-9H,5-6H2,1-4H3,(H2,19,20,21)
InChIKeyPRFZVECAHILUFS-UHFFFAOYSA-N
XLogP4.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-5-methylthiophene-3-carboxamide
CID 1247197
N-(5-chloro-2,4-dimethoxyphenyl)-3-ethyl-2-methyl-7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxamide
CID 16028543
1-(5-Chloro-2,4-dimethoxyphenyl)-3-(phenylmethyl)thiourea
CID 5038862
N-(5-chloro-2,4-dimethoxyphenyl)-1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carboxamide
CID 16028515
1-(5-Chloro-2,4-dimethoxyphenyl)-3-propyl-3-[(thiophen-2-YL)methyl]urea
CID 16016712
N-(5-Chloro-2,4-dimethoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide
CID 16020778
1-(5-Chloro-2,4-dimethoxyphenyl)-3-[2-(6-methyl-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-3-yl)ethyl]urea
CID 155511962
3-(5-chloro-2,4-dimethoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-2-one
CID 4391158
1-{3-[(4-Chlorophenyl)sulfanyl]-2-methylpropyl}-3-(2,4-dimethoxyphenyl)urea
CID 5058212
1-(5-Chloro-2-methoxyphenyl)-3-(2-(dimethylamino)-2-(thiophen-3-yl)ethyl)urea
CID 44025316
N-(5-chloro-2,4-dimethoxyphenyl)-N'-[3-(methylthio)phenyl]urea
CID 311436
1-(5-Chloro-2,4-dimethoxyphenyl)-3-[2-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]urea
CID 22575201

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea (CID 22575164) is 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea is COc1cc(OC)c(NC(=O)NCCc2csc(C)c2C)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea?
The InChIKey is PRFZVECAHILUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-10-11(2)24-9-12(10)5-6-19-17(21)20-14-7-13(18)15(22-3)8-16(14)23-4/h7-9H,5-6H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea?
1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea has a molecular weight of 368.89 g/mol, XLogP of 4.40, 6 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-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea is sourced from PubChem (CID 22575164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).