N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide

C18H21ClN2O3S — CID 113068381

IUPACN-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1ccccc1)CCc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O3S/c1-25(23,24)21(12-10-15-6-5-9-17(19)14-15)13-11-20-18(22)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,20,22)
InChIKeyDCAZGULJNXGVRY-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.57
Rot. Bonds8

About N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide

N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide (PubChem CID 113068381) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
PubChem CID113068381
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1ccccc1)CCc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O3S/c1-25(23,24)21(12-10-15-6-5-9-17(19)14-15)13-11-20-18(22)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,20,22)
InChIKeyDCAZGULJNXGVRY-UHFFFAOYSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate
CID 113068392
3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113067577
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113153577
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376
N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065345
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113153556
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
CID 113068395
3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066651
2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
CID 113067498
N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068205
N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27838781
N-[2-[[N-[2-(3-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111358335

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide?
The IUPAC name of N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide (CID 113068381) is N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide is CS(=O)(=O)N(CCNC(=O)c1ccccc1)CCc1cccc(Cl)c1.
What is the InChIKey of N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide?
The InChIKey is DCAZGULJNXGVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-25(23,24)21(12-10-15-6-5-9-17(19)14-15)13-11-20-18(22)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,20,22).
What are the key properties of N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide?
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide has a molecular weight of 380.90 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide is sourced from PubChem (CID 113068381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).