N-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide

C19H24N2O4S — CID 43907517

IUPACN-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide
SMILESCCOc1ccc(C(C)NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1
InChIInChI=1S/C19H24N2O4S/c1-5-25-16-11-9-15(10-12-16)14(3)20-19(22)17-7-6-8-18(13(17)2)21-26(4,23)24/h6-12,14,21H,5H2,1-4H3,(H,20,22)
InChIKeyRBOKBTLTHNKFBH-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.26
Rot. Bonds7

About N-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide

N-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide (PubChem CID 43907517) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide
PubChem CID43907517
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide
SMILESCCOc1ccc(C(C)NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1
InChIInChI=1S/C19H24N2O4S/c1-5-25-16-11-9-15(10-12-16)14(3)20-19(22)17-7-6-8-18(13(17)2)21-26(4,23)24/h6-12,14,21H,5H2,1-4H3,(H,20,22)
InChIKeyRBOKBTLTHNKFBH-UHFFFAOYSA-N
XLogP3.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide
CID 43875867
3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide
CID 41454413
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 94012754
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
3-chloro-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 38015785
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide
CID 133165200
3-(methanesulfonamido)-2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125042413
N-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide
CID 28570644
3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 43907189
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
2-(2-amino-2-oxoethoxy)-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 24582222
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide
CID 99953141

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide (CID 43907517) is N-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide is CCOc1ccc(C(C)NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide?
The InChIKey is RBOKBTLTHNKFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-5-25-16-11-9-15(10-12-16)14(3)20-19(22)17-7-6-8-18(13(17)2)21-26(4,23)24/h6-12,14,21H,5H2,1-4H3,(H,20,22).
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide?
N-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide has a molecular weight of 376.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide is sourced from PubChem (CID 43907517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).