N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide

C18H21ClN2O4S — CID 113067018

IUPACN-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN(Cc2ccccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C18H21ClN2O4S/c1-25-16-8-5-7-14(12-16)18(22)20-10-11-21(26(2,23)24)13-15-6-3-4-9-17(15)19/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyQGPVOBAWKVFRTF-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.54
Rot. Bonds8

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

N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide (PubChem CID 113067018) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
PubChem CID113067018
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN(Cc2ccccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C18H21ClN2O4S/c1-25-16-8-5-7-14(12-16)18(22)20-10-11-21(26(2,23)24)13-15-6-3-4-9-17(15)19/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyQGPVOBAWKVFRTF-UHFFFAOYSA-N
XLogP2.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113069819
3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066070
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066703
4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066639
3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066651
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064974
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066895
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113067030
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide
CID 113066892

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide (CID 113067018) is N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCN(Cc2ccccc2Cl)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide?
The InChIKey is QGPVOBAWKVFRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-25-16-8-5-7-14(12-16)18(22)20-10-11-21(26(2,23)24)13-15-6-3-4-9-17(15)19/h3-9,12H,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide?
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide has a molecular weight of 396.90 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 113067018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).