3-(2-propan-2-ylsulfonylethylamino)benzamide

C12H18N2O3S — CID 114003703

IUPAC3-(2-propan-2-ylsulfonylethylamino)benzamide
SMILESCC(C)S(=O)(=O)CCNc1cccc(C(N)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-9(2)18(16,17)7-6-14-11-5-3-4-10(8-11)12(13)15/h3-5,8-9,14H,6-7H2,1-2H3,(H2,13,15)
InChIKeyMTWLHPNSBIMXMK-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.02
Rot. Bonds6

About 3-(2-propan-2-ylsulfonylethylamino)benzamide

3-(2-propan-2-ylsulfonylethylamino)benzamide (PubChem CID 114003703) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-(2-propan-2-ylsulfonylethylamino)benzamide.

Molecular Properties

Compound Name3-(2-propan-2-ylsulfonylethylamino)benzamide
PubChem CID114003703
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-(2-propan-2-ylsulfonylethylamino)benzamide
SMILESCC(C)S(=O)(=O)CCNc1cccc(C(N)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-9(2)18(16,17)7-6-14-11-5-3-4-10(8-11)12(13)15/h3-5,8-9,14H,6-7H2,1-2H3,(H2,13,15)
InChIKeyMTWLHPNSBIMXMK-UHFFFAOYSA-N
XLogP1.02
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-amino-3-oxopropyl)amino]benzamide
CID 107811145
3-ethoxy-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723469
3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide
CID 118376771
3-[2-(1-cyanoethoxy)ethylamino]benzamide
CID 114266170
3-(2,4-dimethylpentylamino)benzamide
CID 114200196
3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide
CID 114003701
3-[2-(diethylamino)ethylamino]benzamide
CID 107811316
ethyl 3-(3-carbamoylanilino)propanoate
CID 114003548
4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid
CID 167824866
3-(3-hydroxybutylamino)benzoic acid
CID 102823082
4-fluoro-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723660
3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid
CID 106342831

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylsulfonylethylamino)benzamide?
The IUPAC name of 3-(2-propan-2-ylsulfonylethylamino)benzamide (CID 114003703) is 3-(2-propan-2-ylsulfonylethylamino)benzamide.
What is the SMILES notation for 3-(2-propan-2-ylsulfonylethylamino)benzamide?
The canonical SMILES for 3-(2-propan-2-ylsulfonylethylamino)benzamide is CC(C)S(=O)(=O)CCNc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(2-propan-2-ylsulfonylethylamino)benzamide?
The InChIKey is MTWLHPNSBIMXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(2)18(16,17)7-6-14-11-5-3-4-10(8-11)12(13)15/h3-5,8-9,14H,6-7H2,1-2H3,(H2,13,15).
What are the key properties of 3-(2-propan-2-ylsulfonylethylamino)benzamide?
3-(2-propan-2-ylsulfonylethylamino)benzamide has a molecular weight of 270.35 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylsulfonylethylamino)benzamide is sourced from PubChem (CID 114003703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).