N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C20H25ClN2O4S — CID 33321730

IUPACN-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)N(C)CCOc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-15(2)23(4)28(25,26)19-10-8-16(9-11-19)20(24)22(3)12-13-27-18-7-5-6-17(21)14-18/h5-11,14-15H,12-13H2,1-4H3
InChIKeyHGZZSJZXGKSBHW-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.52
Rot. Bonds8

About N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 33321730) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID33321730
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)N(C)CCOc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-15(2)23(4)28(25,26)19-10-8-16(9-11-19)20(24)22(3)12-13-27-18-7-5-6-17(21)14-18/h5-11,14-15H,12-13H2,1-4H3
InChIKeyHGZZSJZXGKSBHW-UHFFFAOYSA-N
XLogP3.52
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9246729
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 55110390
N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18119830
N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27446833
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 61165412
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-4,5-dimethoxy-N-methylbenzamide
CID 31643778
4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide
CID 56549046
2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide
CID 55431451
5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 82011724

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 33321730) is N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N(C)CCOc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is HGZZSJZXGKSBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-15(2)23(4)28(25,26)19-10-8-16(9-11-19)20(24)22(3)12-13-27-18-7-5-6-17(21)14-18/h5-11,14-15H,12-13H2,1-4H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 424.95 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 33321730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).