3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea

C19H19ClN2OS — CID 112838134

IUPAC3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea
SMILESCN(Cc1ccccc1Cl)C(=O)NCCc1csc2ccccc12
InChIInChI=1S/C19H19ClN2OS/c1-22(12-14-6-2-4-8-17(14)20)19(23)21-11-10-15-13-24-18-9-5-3-7-16(15)18/h2-9,13H,10-12H2,1H3,(H,21,23)
InChIKeyAMMVZSYDHPXTRC-UHFFFAOYSA-N
MW358.89 g/mol
LogP4.94
Rot. Bonds5

About 3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea

3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea (PubChem CID 112838134) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is 3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea
PubChem CID112838134
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC Name3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea
SMILESCN(Cc1ccccc1Cl)C(=O)NCCc1csc2ccccc12
InChIInChI=1S/C19H19ClN2OS/c1-22(12-14-6-2-4-8-17(14)20)19(23)21-11-10-15-13-24-18-9-5-3-7-16(15)18/h2-9,13H,10-12H2,1H3,(H,21,23)
InChIKeyAMMVZSYDHPXTRC-UHFFFAOYSA-N
XLogP4.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea
CID 27533879
3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea
CID 97061097
1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
CID 115169299
3-[2-(1-benzothiophen-3-yl)ethyl]-1-methyl-1-[2-(1,2,4-triazol-4-yl)ethyl]urea
CID 75425910
3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 61414586
1-(1-benzothiophen-3-ylmethyl)-1-methyl-3-(2-propylphenyl)urea
CID 112826081
2-(1-benzothiophen-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 46261254
methyl 2-[2-(1-benzothiophen-3-yl)ethylamino]-2-oxoacetate
CID 115142581
N-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 112837119
N-[2-(1-benzothiophen-3-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 87005686
N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide
CID 115172576
N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea?
The IUPAC name of 3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea (CID 112838134) is 3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea?
The canonical SMILES for 3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea is CN(Cc1ccccc1Cl)C(=O)NCCc1csc2ccccc12.
What is the InChIKey of 3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea?
The InChIKey is AMMVZSYDHPXTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2OS/c1-22(12-14-6-2-4-8-17(14)20)19(23)21-11-10-15-13-24-18-9-5-3-7-16(15)18/h2-9,13H,10-12H2,1H3,(H,21,23).
What are the key properties of 3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea?
3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea has a molecular weight of 358.89 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea is sourced from PubChem (CID 112838134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).