N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide

C15H21N3O4S — CID 97445054

IUPACN-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide
SMILESC[C@@H]1Cc2cc(NC(=O)N3CCN(S(C)(=O)=O)CC3)ccc2O1
InChIInChI=1S/C15H21N3O4S/c1-11-9-12-10-13(3-4-14(12)22-11)16-15(19)17-5-7-18(8-6-17)23(2,20)21/h3-4,10-11H,5-9H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyWSOROSVHPAEDFL-LLVKDONJSA-N
MW339.42 g/mol
LogP1.12
Rot. Bonds2

About N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide

N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide (PubChem CID 97445054) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide
PubChem CID97445054
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide
SMILESC[C@@H]1Cc2cc(NC(=O)N3CCN(S(C)(=O)=O)CC3)ccc2O1
InChIInChI=1S/C15H21N3O4S/c1-11-9-12-10-13(3-4-14(12)22-11)16-15(19)17-5-7-18(8-6-17)23(2,20)21/h3-4,10-11H,5-9H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyWSOROSVHPAEDFL-LLVKDONJSA-N
XLogP1.12
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 125167835
4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide
CID 118794972
2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide
CID 72938591
N-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 97280953
1-ethyl-3-(hydroxymethyl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 72934847
2-[4-(methanesulfonamido)triazol-2-yl]-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 112523408
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide
CID 131901784
N,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide
CID 155954661
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfonylpiperazine-1-carbothioamide
CID 17375172
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea
CID 125179364
N-(3,4-dimethylphenyl)-4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperazine-1-carboxamide
CID 46329396
2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 46429453

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide (CID 97445054) is N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide is C[C@@H]1Cc2cc(NC(=O)N3CCN(S(C)(=O)=O)CC3)ccc2O1.
What is the InChIKey of N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide?
The InChIKey is WSOROSVHPAEDFL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-11-9-12-10-13(3-4-14(12)22-11)16-15(19)17-5-7-18(8-6-17)23(2,20)21/h3-4,10-11H,5-9H2,1-2H3,(H,16,19)/t11-/m1/s1.
What are the key properties of N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide?
N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 97445054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).