N-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-3-methoxybenzamide

C15H16N2O5S2 — CID 71882520

IUPACN-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NS(=O)(=O)c2ccc(CNC(C)=O)s2)c1
InChIInChI=1S/C15H16N2O5S2/c1-10(18)16-9-13-6-7-14(23-13)24(20,21)17-15(19)11-4-3-5-12(8-11)22-2/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyNDHVFTVFVPMWQF-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.51
Rot. Bonds6

About N-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-3-methoxybenzamide

N-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-3-methoxybenzamide (PubChem CID 71882520) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-3-methoxybenzamide
PubChem CID71882520
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC NameN-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NS(=O)(=O)c2ccc(CNC(C)=O)s2)c1
InChIInChI=1S/C15H16N2O5S2/c1-10(18)16-9-13-6-7-14(23-13)24(20,21)17-15(19)11-4-3-5-12(8-11)22-2/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyNDHVFTVFVPMWQF-UHFFFAOYSA-N
XLogP1.51
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-[2-(4-methoxyphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 60516900
N-[[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30180963
methyl 2-[3-[(5-methylthiophen-2-yl)sulfonylcarbamoyl]phenoxy]acetate
CID 154775001
N-[[5-[(3,4-dimethoxyphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553867
N-[[5-[4-(cyclohexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 142788761
N-[[5-(4-anilinopiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 57443892
N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55353278
tert-butyl N-[5-[[(3-methoxybenzoyl)amino]methyl]thiophen-2-yl]sulfonyl-N-piperidin-4-ylcarbamate
CID 70003254
N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide
CID 139085848
N-[[5-[3-[[(1R)-1-cyclohexylethyl]amino]pyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 10278947
N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 57443879
N-[[5-[4-[[(1R)-1-cyclohexylethyl]amino]azepan-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 10230346

Frequently Asked Questions

What is the IUPAC name of N-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-3-methoxybenzamide?
The IUPAC name of N-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-3-methoxybenzamide (CID 71882520) is N-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-3-methoxybenzamide.
What is the SMILES notation for N-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-3-methoxybenzamide?
The canonical SMILES for N-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-3-methoxybenzamide is COc1cccc(C(=O)NS(=O)(=O)c2ccc(CNC(C)=O)s2)c1.
What is the InChIKey of N-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-3-methoxybenzamide?
The InChIKey is NDHVFTVFVPMWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c1-10(18)16-9-13-6-7-14(23-13)24(20,21)17-15(19)11-4-3-5-12(8-11)22-2/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-3-methoxybenzamide?
N-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-3-methoxybenzamide has a molecular weight of 368.44 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-3-methoxybenzamide is sourced from PubChem (CID 71882520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).