5-methyl-3-[(2-methylphenyl)methoxy]-N-methylsulfonylthiophene-2-carboxamide

C15H17NO4S2 — CID 143036633

IUPAC5-methyl-3-[(2-methylphenyl)methoxy]-N-methylsulfonylthiophene-2-carboxamide
SMILESCc1cc(OCc2ccccc2C)c(C(=O)NS(C)(=O)=O)s1
InChIInChI=1S/C15H17NO4S2/c1-10-6-4-5-7-12(10)9-20-13-8-11(2)21-14(13)15(17)16-22(3,18)19/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeyVAMKBBPDIMKDQF-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.63
Rot. Bonds5

About 5-methyl-3-[(2-methylphenyl)methoxy]-N-methylsulfonylthiophene-2-carboxamide

5-methyl-3-[(2-methylphenyl)methoxy]-N-methylsulfonylthiophene-2-carboxamide (PubChem CID 143036633) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-methyl-3-[(2-methylphenyl)methoxy]-N-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-3-[(2-methylphenyl)methoxy]-N-methylsulfonylthiophene-2-carboxamide
PubChem CID143036633
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC Name5-methyl-3-[(2-methylphenyl)methoxy]-N-methylsulfonylthiophene-2-carboxamide
SMILESCc1cc(OCc2ccccc2C)c(C(=O)NS(C)(=O)=O)s1
InChIInChI=1S/C15H17NO4S2/c1-10-6-4-5-7-12(10)9-20-13-8-11(2)21-14(13)15(17)16-22(3,18)19/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeyVAMKBBPDIMKDQF-UHFFFAOYSA-N
XLogP2.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-5-methyl-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide;N-(2-methylphenyl)propan-1-imine
CID 142861051
3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 145489208
4-bromo-3-[(2-methylphenyl)methoxy]benzoic acid
CID 114103815
ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate
CID 91681650
methyl 5-(5,6-dimethylbenzimidazol-1-yl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxylate
CID 57431293
5-(benzimidazol-1-yl)-N-(1-hydroxyethyl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide
CID 143036606
4-[(2-methylphenyl)methoxy]benzohydrazide
CID 17349910
2-(methanesulfonamido)-N-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 75370891
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid
CID 25109956
3-iodo-4-[(2-methylphenyl)methoxy]benzamide
CID 91682054
4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
CID 84559706

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2-methylphenyl)methoxy]-N-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of 5-methyl-3-[(2-methylphenyl)methoxy]-N-methylsulfonylthiophene-2-carboxamide (CID 143036633) is 5-methyl-3-[(2-methylphenyl)methoxy]-N-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-3-[(2-methylphenyl)methoxy]-N-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 5-methyl-3-[(2-methylphenyl)methoxy]-N-methylsulfonylthiophene-2-carboxamide is Cc1cc(OCc2ccccc2C)c(C(=O)NS(C)(=O)=O)s1.
What is the InChIKey of 5-methyl-3-[(2-methylphenyl)methoxy]-N-methylsulfonylthiophene-2-carboxamide?
The InChIKey is VAMKBBPDIMKDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-10-6-4-5-7-12(10)9-20-13-8-11(2)21-14(13)15(17)16-22(3,18)19/h4-8H,9H2,1-3H3,(H,16,17).
What are the key properties of 5-methyl-3-[(2-methylphenyl)methoxy]-N-methylsulfonylthiophene-2-carboxamide?
5-methyl-3-[(2-methylphenyl)methoxy]-N-methylsulfonylthiophene-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2-methylphenyl)methoxy]-N-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 143036633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).