N-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide

C14H15NO3S2 — CID 18117252

IUPACN-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H15NO3S2/c1-15(9-11-6-7-19-10-11)14(16)12-4-3-5-13(8-12)20(2,17)18/h3-8,10H,9H2,1-2H3
InChIKeyGMCSDDIXZTYZFH-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.42
Rot. Bonds4

About N-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide

N-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 18117252) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide
PubChem CID18117252
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC NameN-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H15NO3S2/c1-15(9-11-6-7-19-10-11)14(16)12-4-3-5-13(8-12)20(2,17)18/h3-8,10H,9H2,1-2H3
InChIKeyGMCSDDIXZTYZFH-UHFFFAOYSA-N
XLogP2.42
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 43017747
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 18111551
N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 39972148
2-[methyl-(3-methylsulfonylbenzoyl)amino]acetic acid
CID 16777539
N-methyl-3-methylsulfonyl-N-[(2-phenylphenyl)methyl]benzamide
CID 60618534
N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide
CID 18126143
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18117406
N-(2-chloro-3-methoxypropyl)-N-methyl-3-methylsulfonylbenzamide
CID 63398083
N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide
CID 69372704
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 43396649
4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62678324
3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 79673638

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of N-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide (CID 18117252) is N-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for N-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide is CN(Cc1ccsc1)C(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is GMCSDDIXZTYZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-15(9-11-6-7-19-10-11)14(16)12-4-3-5-13(8-12)20(2,17)18/h3-8,10H,9H2,1-2H3.
What are the key properties of N-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide?
N-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 309.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 18117252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).