4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide

C16H24N2O4S — CID 94805874

IUPAC4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H24N2O4S/c1-4-18(11-13-9-10-22-12-13)16(19)14-5-7-15(8-6-14)23(20,21)17(2)3/h5-8,13H,4,9-12H2,1-3H3/t13-/m0/s1
InChIKeyVJIMKWOKQSOAAK-ZDUSSCGKSA-N
MW340.44 g/mol
LogP1.44
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide

4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide (PubChem CID 94805874) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
PubChem CID94805874
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H24N2O4S/c1-4-18(11-13-9-10-22-12-13)16(19)14-5-7-15(8-6-14)23(20,21)17(2)3/h5-8,13H,4,9-12H2,1-3H3/t13-/m0/s1
InChIKeyVJIMKWOKQSOAAK-ZDUSSCGKSA-N
XLogP1.44
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 61114252
3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide
CID 103707104
3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 61115387
1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 94118146
N-ethyl-4-(methylamino)-3-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94797422
3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 104852419
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 95283465
N-(cyclopropylmethyl)-5-(dimethylsulfamoyl)-N-ethyl-1-benzofuran-2-carboxamide
CID 91950528
N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 97239773
4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110733144
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-6-phenylmethoxypyridine-3-carboxamide
CID 95276771

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide (CID 94805874) is 4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide is CCN(C[C@@H]1CCOC1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
The InChIKey is VJIMKWOKQSOAAK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-4-18(11-13-9-10-22-12-13)16(19)14-5-7-15(8-6-14)23(20,21)17(2)3/h5-8,13H,4,9-12H2,1-3H3/t13-/m0/s1.
What are the key properties of 4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide has a molecular weight of 340.44 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide is sourced from PubChem (CID 94805874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).