5-bromo-2-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C15H17BrN2O4S — CID 90332417

IUPAC5-bromo-2-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C2CC2)oc2cc(N(C)S(C)(=O)=O)c(Br)cc12
InChIInChI=1S/C15H17BrN2O4S/c1-17-15(19)13-9-6-10(16)11(18(2)23(3,20)21)7-12(9)22-14(13)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,17,19)
InChIKeyLMFBEXMMFPSNQB-UHFFFAOYSA-N
MW401.28 g/mol
LogP2.83
Rot. Bonds4

About 5-bromo-2-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

5-bromo-2-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 90332417) has the molecular formula C15H17BrN2O4S and a molecular weight of 401.28 g/mol. Its IUPAC name is 5-bromo-2-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID90332417
Molecular FormulaC15H17BrN2O4S
Molecular Weight401.28 g/mol
Exact Mass400.01
IUPAC Name5-bromo-2-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C2CC2)oc2cc(N(C)S(C)(=O)=O)c(Br)cc12
InChIInChI=1S/C15H17BrN2O4S/c1-17-15(19)13-9-6-10(16)11(18(2)23(3,20)21)7-12(9)22-14(13)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,17,19)
InChIKeyLMFBEXMMFPSNQB-UHFFFAOYSA-N
XLogP2.83
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(4-fluoro-2-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 102364319
5-bromo-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-carboxamide
CID 90332525
5-bromo-2-imidazol-1-yl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;ethane;1H-imidazole
CID 144679920
5-bromo-6-(dimethylamino)-2-formyl-N-methyl-1-benzofuran-3-carboxamide
CID 144681550
N-(2-acetyl-5-bromo-3-propanoyl-1-benzofuran-6-yl)methanesulfonamide;N-(2-acetyl-5-bromo-3-propanoyl-1-benzofuran-6-yl)-N-methylmethanesulfonamide
CID 159704541
2-cyclopropyl-5-[15-fluoro-9-[(3-methylazetidin-1-yl)methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 146557478
2-(4-fluorophenyl)-N,5-dimethyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 89435876
ethyl 5-bromo-2-(cyclopenten-1-yl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxylate
CID 90332403
N-methyl-6-[methyl(methylsulfonyl)amino]-2-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide
CID 90333577
N-[5-bromo-2-[4-(difluoromethyl)phenyl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide
CID 159071567
5-[(2R)-6-(4-fluorobenzoyl)piperidin-2-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 87055070
N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1-benzofuran-3-carboxamide
CID 121356498

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-bromo-2-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 90332417) is 5-bromo-2-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-bromo-2-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-bromo-2-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(C2CC2)oc2cc(N(C)S(C)(=O)=O)c(Br)cc12.
What is the InChIKey of 5-bromo-2-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is LMFBEXMMFPSNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O4S/c1-17-15(19)13-9-6-10(16)11(18(2)23(3,20)21)7-12(9)22-14(13)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,17,19).
What are the key properties of 5-bromo-2-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
5-bromo-2-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 401.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 90332417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).