3-[[(4,5-dimethylthiophen-2-yl)sulfonylamino]methyl]benzamide

C14H16N2O3S2 — CID 75441825

IUPAC3-[[(4,5-dimethylthiophen-2-yl)sulfonylamino]methyl]benzamide
SMILESCc1cc(S(=O)(=O)NCc2cccc(C(N)=O)c2)sc1C
InChIInChI=1S/C14H16N2O3S2/c1-9-6-13(20-10(9)2)21(18,19)16-8-11-4-3-5-12(7-11)14(15)17/h3-7,16H,8H2,1-2H3,(H2,15,17)
InChIKeyBLBKSFDWRMZXQJ-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.94
Rot. Bonds5

About 3-[[(4,5-dimethylthiophen-2-yl)sulfonylamino]methyl]benzamide

3-[[(4,5-dimethylthiophen-2-yl)sulfonylamino]methyl]benzamide (PubChem CID 75441825) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[[(4,5-dimethylthiophen-2-yl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(4,5-dimethylthiophen-2-yl)sulfonylamino]methyl]benzamide
PubChem CID75441825
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name3-[[(4,5-dimethylthiophen-2-yl)sulfonylamino]methyl]benzamide
SMILESCc1cc(S(=O)(=O)NCc2cccc(C(N)=O)c2)sc1C
InChIInChI=1S/C14H16N2O3S2/c1-9-6-13(20-10(9)2)21(18,19)16-8-11-4-3-5-12(7-11)14(15)17/h3-7,16H,8H2,1-2H3,(H2,15,17)
InChIKeyBLBKSFDWRMZXQJ-UHFFFAOYSA-N
XLogP1.94
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 104538249
3-[(carbamoylamino)methyl]benzamide
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3-[[(5-ethylthiophen-2-yl)sulfonylamino]methyl]benzoic acid
CID 61454207
3-[(propanoylamino)methyl]benzamide
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3-[(2,4,6-trimethylanilino)methyl]benzamide
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3-[(2,4-dimethylanilino)methyl]benzamide
CID 28564440
methyl 3-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]benzoate
CID 134944324
3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride
CID 119287433
5-bromo-4-methyl-N-[(3-nitrophenyl)methyl]thiophene-2-sulfonamide
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3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide
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CID 116620217

Frequently Asked Questions

What is the IUPAC name of 3-[[(4,5-dimethylthiophen-2-yl)sulfonylamino]methyl]benzamide?
The IUPAC name of 3-[[(4,5-dimethylthiophen-2-yl)sulfonylamino]methyl]benzamide (CID 75441825) is 3-[[(4,5-dimethylthiophen-2-yl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for 3-[[(4,5-dimethylthiophen-2-yl)sulfonylamino]methyl]benzamide?
The canonical SMILES for 3-[[(4,5-dimethylthiophen-2-yl)sulfonylamino]methyl]benzamide is Cc1cc(S(=O)(=O)NCc2cccc(C(N)=O)c2)sc1C.
What is the InChIKey of 3-[[(4,5-dimethylthiophen-2-yl)sulfonylamino]methyl]benzamide?
The InChIKey is BLBKSFDWRMZXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-9-6-13(20-10(9)2)21(18,19)16-8-11-4-3-5-12(7-11)14(15)17/h3-7,16H,8H2,1-2H3,(H2,15,17).
What are the key properties of 3-[[(4,5-dimethylthiophen-2-yl)sulfonylamino]methyl]benzamide?
3-[[(4,5-dimethylthiophen-2-yl)sulfonylamino]methyl]benzamide has a molecular weight of 324.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4,5-dimethylthiophen-2-yl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 75441825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).