3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide

C18H21ClN2O3S — CID 113066651

IUPAC3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
SMILESCc1ccccc1CN(CCNC(=O)c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S/c1-14-6-3-4-7-16(14)13-21(25(2,23)24)11-10-20-18(22)15-8-5-9-17(19)12-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyJRRZPABYTDMBOU-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.84
Rot. Bonds7

About 3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide

3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide (PubChem CID 113066651) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
PubChem CID113066651
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
SMILESCc1ccccc1CN(CCNC(=O)c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S/c1-14-6-3-4-7-16(14)13-21(25(2,23)24)11-10-20-18(22)15-8-5-9-17(19)12-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyJRRZPABYTDMBOU-UHFFFAOYSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113067577
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide
CID 113066892
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066900
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066895
4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066639
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113067018
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113068381
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide
CID 113066628
3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068799
3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069948
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066790

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide (CID 113066651) is 3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide is Cc1ccccc1CN(CCNC(=O)c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide?
The InChIKey is JRRZPABYTDMBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-14-6-3-4-7-16(14)13-21(25(2,23)24)11-10-20-18(22)15-8-5-9-17(19)12-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of 3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide?
3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide has a molecular weight of 380.90 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide is sourced from PubChem (CID 113066651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).