4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide

C15H16N2O3S2 — CID 2989459

IUPAC4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H16N2O3S2/c1-3-10-16-15(18)12-6-8-13(9-7-12)17(2)22(19,20)14-5-4-11-21-14/h3-9,11H,1,10H2,2H3,(H,16,18)
InChIKeyKIGNLMJXHVGURJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.49
Rot. Bonds6

About 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide

4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide (PubChem CID 2989459) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide
PubChem CID2989459
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H16N2O3S2/c1-3-10-16-15(18)12-6-8-13(9-7-12)17(2)22(19,20)14-5-4-11-21-14/h3-9,11H,1,10H2,2H3,(H,16,18)
InChIKeyKIGNLMJXHVGURJ-UHFFFAOYSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283060
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide
CID 53283010
N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283027
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 27261173
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 53282991
4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 28591458
ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 2989771
methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100548946
N-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 99956135
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

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide (CID 2989459) is 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide?
The InChIKey is KIGNLMJXHVGURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-3-10-16-15(18)12-6-8-13(9-7-12)17(2)22(19,20)14-5-4-11-21-14/h3-9,11H,1,10H2,2H3,(H,16,18).
What are the key properties of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide?
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide has a molecular weight of 336.44 g/mol, XLogP of 2.49, 6 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-prop-2-enylbenzamide is sourced from PubChem (CID 2989459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).