1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea

C17H20ClN3O3S — CID 113067081

IUPAC1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea
SMILESCS(=O)(=O)N(CCNC(=O)Nc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-25(23,24)21(13-14-7-9-15(18)10-8-14)12-11-19-17(22)20-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H2,19,20,22)
InChIKeyYGQDBYZKRZSOQA-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.92
Rot. Bonds7

About 1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea

1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea (PubChem CID 113067081) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea
PubChem CID113067081
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea
SMILESCS(=O)(=O)N(CCNC(=O)Nc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-25(23,24)21(13-14-7-9-15(18)10-8-14)12-11-19-17(22)20-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H2,19,20,22)
InChIKeyYGQDBYZKRZSOQA-UHFFFAOYSA-N
XLogP2.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[benzyl(methyl)amino]propyl]-3-(4-chlorophenyl)urea
CID 46647437
1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113068475
1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069900
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide
CID 113067090
1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea
CID 22506194
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide
CID 113066552
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113067077
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide
CID 113067070
ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate
CID 113066591
1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069700
methyl 2-[(4-chlorophenyl)methyl-[3-(phenylcarbamoylamino)propanoyl]amino]acetate
CID 55803002
N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113054043

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea?
The IUPAC name of 1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea (CID 113067081) is 1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea is CS(=O)(=O)N(CCNC(=O)Nc1ccccc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea?
The InChIKey is YGQDBYZKRZSOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-25(23,24)21(13-14-7-9-15(18)10-8-14)12-11-19-17(22)20-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H2,19,20,22).
What are the key properties of 1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea?
1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea has a molecular weight of 381.89 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea is sourced from PubChem (CID 113067081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).