4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C14H20N2O4S — CID 9301361

IUPAC4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)CNC(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-10(2)16-13(17)8-15-14(18)12-6-4-11(5-7-12)9-21(3,19)20/h4-7,10H,8-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyRZSOZHMLJUKYQR-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.49
Rot. Bonds6

About 4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 9301361) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID9301361
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)CNC(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-10(2)16-13(17)8-15-14(18)12-6-4-11(5-7-12)9-21(3,19)20/h4-7,10H,8-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyRZSOZHMLJUKYQR-UHFFFAOYSA-N
XLogP0.49
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 27648016
N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 9224687
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 27760143
N-(3-hydroxy-2-methylpropyl)-4-(methylsulfonylmethyl)benzamide
CID 65031706
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 17483539
4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 27743223
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971
4-(methylsulfonylmethyl)-N-prop-2-enylbenzamide
CID 9442194
4-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299693
N-(3-acetamidopropyl)-4-(methylsulfonylmethyl)benzamide
CID 38449785
N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 60742768
N-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide
CID 115703580

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 9301361) is 4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is CC(C)NC(=O)CNC(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of 4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is RZSOZHMLJUKYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10(2)16-13(17)8-15-14(18)12-6-4-11(5-7-12)9-21(3,19)20/h4-7,10H,8-9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 312.39 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 9301361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).