N-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide

C16H19NO3S2 — CID 78811486

IUPACN-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C16H19NO3S2/c1-3-17(11-15-8-5-9-21-15)16(18)14-7-4-6-13(10-14)12-22(2,19)20/h4-10H,3,11-12H2,1-2H3
InChIKeyWFDSPOLTHRGXER-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.95
Rot. Bonds6

About N-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide

N-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 78811486) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID78811486
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC NameN-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C16H19NO3S2/c1-3-17(11-15-8-5-9-21-15)16(18)14-7-4-6-13(10-14)12-22(2,19)20/h4-10H,3,11-12H2,1-2H3
InChIKeyWFDSPOLTHRGXER-UHFFFAOYSA-N
XLogP2.95
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
N-ethyl-3-(N'-hydroxycarbamimidoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 76904150
3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18163370
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396
3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 61106292
3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801031
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730228
2-[[3-(diethylcarbamoyl)phenyl]methyl-sulfinatoamino]thiophene
CID 68822740
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide (CID 78811486) is N-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide is CCN(Cc1cccs1)C(=O)c1cccc(CS(C)(=O)=O)c1.
What is the InChIKey of N-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is WFDSPOLTHRGXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-3-17(11-15-8-5-9-21-15)16(18)14-7-4-6-13(10-14)12-22(2,19)20/h4-10H,3,11-12H2,1-2H3.
What are the key properties of N-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
N-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 337.47 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 78811486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).