1-[(2-chlorophenyl)methyl]-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea

C20H24ClN3OS — CID 49119365

IUPAC1-[(2-chlorophenyl)methyl]-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
SMILESCN(Cc1ccccc1Cl)C(=O)Nc1ccccc1CN1CCSCC1
InChIInChI=1S/C20H24ClN3OS/c1-23(14-16-6-2-4-8-18(16)21)20(25)22-19-9-5-3-7-17(19)15-24-10-12-26-13-11-24/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeyJWZQBAIGJOLRAP-UHFFFAOYSA-N
MW389.95 g/mol
LogP4.55
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea

1-[(2-chlorophenyl)methyl]-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea (PubChem CID 49119365) has the molecular formula C20H24ClN3OS and a molecular weight of 389.95 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
PubChem CID49119365
Molecular FormulaC20H24ClN3OS
Molecular Weight389.95 g/mol
Exact Mass389.13
IUPAC Name1-[(2-chlorophenyl)methyl]-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
SMILESCN(Cc1ccccc1Cl)C(=O)Nc1ccccc1CN1CCSCC1
InChIInChI=1S/C20H24ClN3OS/c1-23(14-16-6-2-4-8-18(16)21)20(25)22-19-9-5-3-7-17(19)15-24-10-12-26-13-11-24/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeyJWZQBAIGJOLRAP-UHFFFAOYSA-N
XLogP4.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(N-methylanilino)propyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
CID 60606672
4-(4-chlorophenyl)-4-oxo-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 49057882
2-bromo-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49005061
4-(methylamino)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119869698
4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119869740
1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
CID 49119029
2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79814004
2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 49004814
3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 51100289
5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 120645731
2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 56539073
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide
CID 115578615

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea (CID 49119365) is 1-[(2-chlorophenyl)methyl]-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea is CN(Cc1ccccc1Cl)C(=O)Nc1ccccc1CN1CCSCC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea?
The InChIKey is JWZQBAIGJOLRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3OS/c1-23(14-16-6-2-4-8-18(16)21)20(25)22-19-9-5-3-7-17(19)15-24-10-12-26-13-11-24/h2-9H,10-15H2,1H3,(H,22,25).
What are the key properties of 1-[(2-chlorophenyl)methyl]-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea?
1-[(2-chlorophenyl)methyl]-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea has a molecular weight of 389.95 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-1-methyl-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea is sourced from PubChem (CID 49119365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).