N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide

C23H26N2O4S — CID 3530969

IUPACN-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCCCC4)cc3c2C)c1C
InChIInChI=1S/C23H26N2O4S/c1-15-8-7-9-20(16(15)2)24-23(26)22-17(3)19-14-18(10-11-21(19)29-22)30(27,28)25-12-5-4-6-13-25/h7-11,14H,4-6,12-13H2,1-3H3,(H,24,26)
InChIKeyZZKNWQUEFWCZFT-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.78
Rot. Bonds4

About N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide

N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide (PubChem CID 3530969) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
PubChem CID3530969
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC NameN-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCCCC4)cc3c2C)c1C
InChIInChI=1S/C23H26N2O4S/c1-15-8-7-9-20(16(15)2)24-23(26)22-17(3)19-14-18(10-11-21(19)29-22)30(27,28)25-12-5-4-6-13-25/h7-11,14H,4-6,12-13H2,1-3H3,(H,24,26)
InChIKeyZZKNWQUEFWCZFT-UHFFFAOYSA-N
XLogP4.78
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246543
N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 4526754
5-(azepan-1-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246547
N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 9344621
N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 29200072
N-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 4059945
3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 2373627
[5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 3243719
3-methyl-N-(2-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 5220536
(4-methylpiperazin-1-yl)-(3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone
CID 5091000
N-(2,3-dimethylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679062

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide (CID 3530969) is N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide is Cc1cccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCCCC4)cc3c2C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is ZZKNWQUEFWCZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-15-8-7-9-20(16(15)2)24-23(26)22-17(3)19-14-18(10-11-21(19)29-22)30(27,28)25-12-5-4-6-13-25/h7-11,14H,4-6,12-13H2,1-3H3,(H,24,26).
What are the key properties of N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide?
N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3530969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).