N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide

C24H25N3O4S2 — CID 20903323

IUPACN-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCc3ccc(C(=O)NCc4cccs4)cc3)ccc21
InChIInChI=1S/C24H25N3O4S2/c1-24(2)20-13-19(10-11-21(20)27(3)23(24)29)33(30,31)26-14-16-6-8-17(9-7-16)22(28)25-15-18-5-4-12-32-18/h4-13,26H,14-15H2,1-3H3,(H,25,28)
InChIKeyZVPBPEYRLBRRBD-UHFFFAOYSA-N
MW483.62 g/mol
LogP3.41
Rot. Bonds7

About N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide

N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide (PubChem CID 20903323) has the molecular formula C24H25N3O4S2 and a molecular weight of 483.62 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide
PubChem CID20903323
Molecular FormulaC24H25N3O4S2
Molecular Weight483.62 g/mol
Exact Mass483.13
IUPAC NameN-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCc3ccc(C(=O)NCc4cccs4)cc3)ccc21
InChIInChI=1S/C24H25N3O4S2/c1-24(2)20-13-19(10-11-21(20)27(3)23(24)29)33(30,31)26-14-16-6-8-17(9-7-16)22(28)25-15-18-5-4-12-32-18/h4-13,26H,14-15H2,1-3H3,(H,25,28)
InChIKeyZVPBPEYRLBRRBD-UHFFFAOYSA-N
XLogP3.41
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide with MolForge

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Related Compounds

2-thiophen-2-yl-N-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]acetamide
CID 110790343
3-thiophen-2-yl-N-[(1,3,3-trimethyl-2-oxoindol-5-yl)methyl]propanamide
CID 110784091
4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide
CID 142577825
N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119505533
N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
CID 22582606
3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770474
N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60518879
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 9374254
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4814346
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide (CID 20903323) is N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide is CN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCc3ccc(C(=O)NCc4cccs4)cc3)ccc21.
What is the InChIKey of N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide?
The InChIKey is ZVPBPEYRLBRRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S2/c1-24(2)20-13-19(10-11-21(20)27(3)23(24)29)33(30,31)26-14-16-6-8-17(9-7-16)22(28)25-15-18-5-4-12-32-18/h4-13,26H,14-15H2,1-3H3,(H,25,28).
What are the key properties of N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide?
N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide has a molecular weight of 483.62 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 20903323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).