(2R)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-methylsulfonylpropanamide

C16H19NO4S — CID 96532979

IUPAC(2R)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-methylsulfonylpropanamide
SMILESC[C@H](C(=O)N[C@H](c1cc2ccccc2o1)C1CC1)S(C)(=O)=O
InChIInChI=1S/C16H19NO4S/c1-10(22(2,19)20)16(18)17-15(11-7-8-11)14-9-12-5-3-4-6-13(12)21-14/h3-6,9-11,15H,7-8H2,1-2H3,(H,17,18)/t10-,15+/m1/s1
InChIKeyIJIATCVOBSUYFW-BMIGLBTASA-N
MW321.40 g/mol
LogP2.43
Rot. Bonds5

About (2R)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-methylsulfonylpropanamide

(2R)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-methylsulfonylpropanamide (PubChem CID 96532979) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is (2R)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-methylsulfonylpropanamide
PubChem CID96532979
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name(2R)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-methylsulfonylpropanamide
SMILESC[C@H](C(=O)N[C@H](c1cc2ccccc2o1)C1CC1)S(C)(=O)=O
InChIInChI=1S/C16H19NO4S/c1-10(22(2,19)20)16(18)17-15(11-7-8-11)14-9-12-5-3-4-6-13(12)21-14/h3-6,9-11,15H,7-8H2,1-2H3,(H,17,18)/t10-,15+/m1/s1
InChIKeyIJIATCVOBSUYFW-BMIGLBTASA-N
XLogP2.43
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-{[1-(1-Benzofuran-2-yl)ethyl]amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one
CID 454421
N-(1,1-dioxidotetrahydro-3-thienyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 4497909
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 2908445
N-(6-sulfanylhexyl)-1-benzofuran-2-carboxamide
CID 11265886
N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide
CID 9079958
5-(azepan-1-ylsulfonyl)-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide
CID 3245616
N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 3646157
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3827276
N-cyclopropyl-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4577166
5-[(diethylamino)sulfonyl]-N-isopropyl-3-methyl-1-benzofuran-2-carboxamide
CID 3240780
S-[6-(1-benzofuran-2-carbonylamino)hexyl] 2-methylpropanethioate
CID 11405295
N-cyclopropyl-5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
CID 3574506

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-methylsulfonylpropanamide (CID 96532979) is (2R)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-methylsulfonylpropanamide is C[C@H](C(=O)N[C@H](c1cc2ccccc2o1)C1CC1)S(C)(=O)=O.
What is the InChIKey of (2R)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-methylsulfonylpropanamide?
The InChIKey is IJIATCVOBSUYFW-BMIGLBTASA-N. The full InChI is InChI=1S/C16H19NO4S/c1-10(22(2,19)20)16(18)17-15(11-7-8-11)14-9-12-5-3-4-6-13(12)21-14/h3-6,9-11,15H,7-8H2,1-2H3,(H,17,18)/t10-,15+/m1/s1.
What are the key properties of (2R)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-methylsulfonylpropanamide?
(2R)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-methylsulfonylpropanamide has a molecular weight of 321.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 96532979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).