4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide

C17H20N2O4S — CID 100785370

IUPAC4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)N(C)c2cccc(OC)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-4-24(21,22)18-14-10-8-13(9-11-14)17(20)19(2)15-6-5-7-16(12-15)23-3/h5-12,18H,4H2,1-3H3
InChIKeyMFFHPTPKSVTPRE-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.73
Rot. Bonds6

About 4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide

4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide (PubChem CID 100785370) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide
PubChem CID100785370
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)N(C)c2cccc(OC)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-4-24(21,22)18-14-10-8-13(9-11-14)17(20)19(2)15-6-5-7-16(12-15)23-3/h5-12,18H,4H2,1-3H3
InChIKeyMFFHPTPKSVTPRE-UHFFFAOYSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
4-(4-methoxyphenoxy)-N-(3-methoxyphenyl)-N-methylbenzamide
CID 127038740
4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid
CID 62003468
4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide
CID 100785367
N-(3-methoxyphenyl)-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 62180536
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838445
2-(methanesulfonamido)-N-(3-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 100772871
3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide
CID 47078326
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide
CID 92679282
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423627

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide?
The IUPAC name of 4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide (CID 100785370) is 4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide?
The canonical SMILES for 4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide is CCS(=O)(=O)Nc1ccc(C(=O)N(C)c2cccc(OC)c2)cc1.
What is the InChIKey of 4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide?
The InChIKey is MFFHPTPKSVTPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-24(21,22)18-14-10-8-13(9-11-14)17(20)19(2)15-6-5-7-16(12-15)23-3/h5-12,18H,4H2,1-3H3.
What are the key properties of 4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide?
4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide has a molecular weight of 348.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 100785370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).