5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide

C19H17NO4S2 — CID 53124439

IUPAC5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C19H17NO4S2/c1-24-16-10-6-5-7-14(16)13-20-19(21)17-11-12-18(25-17)26(22,23)15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,20,21)
InChIKeyVMGCGTLXAGHIAW-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.52
Rot. Bonds6

About 5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide

5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 53124439) has the molecular formula C19H17NO4S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID53124439
Molecular FormulaC19H17NO4S2
Molecular Weight387.48 g/mol
Exact Mass387.06
IUPAC Name5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C19H17NO4S2/c1-24-16-10-6-5-7-14(16)13-20-19(21)17-11-12-18(25-17)26(22,23)15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,20,21)
InChIKeyVMGCGTLXAGHIAW-UHFFFAOYSA-N
XLogP3.52
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 53124497
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
N-[(2-methoxyphenyl)methyl]-1-oxoisothiochromene-3-carboxamide
CID 17015294
N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 18081414
4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61091924
5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 55594760
5-indol-1-yl-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 20940671
5-(azepan-1-ylsulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 53066338
N-[5-[(2-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302984
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9164278
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9246179

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide (CID 53124439) is 5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide is COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is VMGCGTLXAGHIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S2/c1-24-16-10-6-5-7-14(16)13-20-19(21)17-11-12-18(25-17)26(22,23)15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,20,21).
What are the key properties of 5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 53124439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).