3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide

C19H21NO3S — CID 97248877

IUPAC3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2C[C@@H]2c2ccccc2)c1
InChIInChI=1S/C19H21NO3S/c1-3-24(22,23)16-11-7-10-15(12-16)19(21)20(2)18-13-17(18)14-8-5-4-6-9-14/h4-12,17-18H,3,13H2,1-2H3/t17-,18+/m1/s1
InChIKeyJAEJZKLDIDYNRW-MSOLQXFVSA-N
MW343.45 g/mol
LogP3.11
Rot. Bonds5

About 3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide

3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide (PubChem CID 97248877) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide.

Molecular Properties

Compound Name3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
PubChem CID97248877
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2C[C@@H]2c2ccccc2)c1
InChIInChI=1S/C19H21NO3S/c1-3-24(22,23)16-11-7-10-15(12-16)19(21)20(2)18-13-17(18)14-8-5-4-6-9-14/h4-12,17-18H,3,13H2,1-2H3/t17-,18+/m1/s1
InChIKeyJAEJZKLDIDYNRW-MSOLQXFVSA-N
XLogP3.11
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 98771871
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]sulfonyl-N,N-dimethylbenzamide
CID 120766196
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride
CID 120766195
N-cyclopropyl-N-methyl-3-sulfamoylbenzamide
CID 43265275
N-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 26998902
(E)-3-(3-ethylsulfonylphenyl)but-2-enoic acid
CID 83957450
3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
CID 43247619
N-methyl-N-(2-phenylcyclopropyl)but-2-ynamide
CID 146083708
N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide
CID 97247281
N-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 167847221
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 120744386
N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide
CID 124736707

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide?
The IUPAC name of 3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide (CID 97248877) is 3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide.
What is the SMILES notation for 3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide?
The canonical SMILES for 3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide is CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2C[C@@H]2c2ccccc2)c1.
What is the InChIKey of 3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide?
The InChIKey is JAEJZKLDIDYNRW-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-3-24(22,23)16-11-7-10-15(12-16)19(21)20(2)18-13-17(18)14-8-5-4-6-9-14/h4-12,17-18H,3,13H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of 3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide?
3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide has a molecular weight of 343.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide is sourced from PubChem (CID 97248877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).