4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide

C17H22N2O3S2 — CID 53283010

IUPAC4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C17H22N2O3S2/c1-4-14(5-2)18-17(20)13-8-10-15(11-9-13)19(3)24(21,22)16-7-6-12-23-16/h6-12,14H,4-5H2,1-3H3,(H,18,20)
InChIKeyQMFLGGVPPYVBHL-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.49
Rot. Bonds7

About 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide

4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide (PubChem CID 53283010) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide
PubChem CID53283010
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC Name4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C17H22N2O3S2/c1-4-14(5-2)18-17(20)13-8-10-15(11-9-13)19(3)24(21,22)16-7-6-12-23-16/h6-12,14H,4-5H2,1-3H3,(H,18,20)
InChIKeyQMFLGGVPPYVBHL-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide
CID 53283300
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide
CID 2989459
ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 2989771
N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283060
N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283027
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 53282991
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 27261173
N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide
CID 2992743
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
N-ethyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057856
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 100542916
4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
CID 762069

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide?
The IUPAC name of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide (CID 53283010) is 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide.
What is the SMILES notation for 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide?
The canonical SMILES for 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide is CCC(CC)NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide?
The InChIKey is QMFLGGVPPYVBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-4-14(5-2)18-17(20)13-8-10-15(11-9-13)19(3)24(21,22)16-7-6-12-23-16/h6-12,14H,4-5H2,1-3H3,(H,18,20).
What are the key properties of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide?
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide has a molecular weight of 366.51 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide is sourced from PubChem (CID 53283010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).