4-ethylsulfonyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

C16H19NO3S2 — CID 51098539

IUPAC4-ethylsulfonyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NC(C)c2ccc(C)s2)cc1
InChIInChI=1S/C16H19NO3S2/c1-4-22(19,20)14-8-6-13(7-9-14)16(18)17-12(3)15-10-5-11(2)21-15/h5-10,12H,4H2,1-3H3,(H,17,18)
InChIKeyKSWMNRZHRCUWFN-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.34
Rot. Bonds5

About 4-ethylsulfonyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

4-ethylsulfonyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 51098539) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
PubChem CID51098539
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC Name4-ethylsulfonyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NC(C)c2ccc(C)s2)cc1
InChIInChI=1S/C16H19NO3S2/c1-4-22(19,20)14-8-6-13(7-9-14)16(18)17-12(3)15-10-5-11(2)21-15/h5-10,12H,4H2,1-3H3,(H,17,18)
InChIKeyKSWMNRZHRCUWFN-UHFFFAOYSA-N
XLogP3.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 102851500
5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide
CID 61343707
4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitrobenzamide
CID 61355560
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 79812423
4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide
CID 163208050
(2S,3S)-3-methyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]pentanoic acid
CID 61475897
3-amino-5-fluoro-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61471765
2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 62186333
N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide
CID 62176701
4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246478
5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide
CID 63748667

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 4-ethylsulfonyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (CID 51098539) is 4-ethylsulfonyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-ethylsulfonyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 4-ethylsulfonyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is CCS(=O)(=O)c1ccc(C(=O)NC(C)c2ccc(C)s2)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The InChIKey is KSWMNRZHRCUWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-4-22(19,20)14-8-6-13(7-9-14)16(18)17-12(3)15-10-5-11(2)21-15/h5-10,12H,4H2,1-3H3,(H,17,18).
What are the key properties of 4-ethylsulfonyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
4-ethylsulfonyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 337.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 51098539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).