N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide

C19H23ClN2O3S — CID 113070047

IUPACN-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H23ClN2O3S/c1-13-5-7-16(11-15(13)3)19(23)21-9-10-22(26(4,24)25)18-12-17(20)8-6-14(18)2/h5-8,11-12H,9-10H2,1-4H3,(H,21,23)
InChIKeyHFRQBSBURNDZOH-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide

N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide (PubChem CID 113070047) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
PubChem CID113070047
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H23ClN2O3S/c1-13-5-7-16(11-15(13)3)19(23)21-9-10-22(26(4,24)25)18-12-17(20)8-6-14(18)2/h5-8,11-12H,9-10H2,1-4H3,(H,21,23)
InChIKeyHFRQBSBURNDZOH-UHFFFAOYSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068544
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113069673
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113068983
3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
CID 113069362
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3,4-dimethylbenzamide
CID 113071294
3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068799
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066246
4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113069060
4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070383
3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069948
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113070076
N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3,4-difluorobenzamide
CID 113069894

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide (CID 113070047) is N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C.
What is the InChIKey of N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide?
The InChIKey is HFRQBSBURNDZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-13-5-7-16(11-15(13)3)19(23)21-9-10-22(26(4,24)25)18-12-17(20)8-6-14(18)2/h5-8,11-12H,9-10H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide?
N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide has a molecular weight of 394.92 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 113070047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).