3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide

C24H26N2O4S — CID 3487710

IUPAC3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCCc3ccccc32)oc2ccc(S(=O)(=O)N3CCCC3)cc12
InChIInChI=1S/C24H26N2O4S/c1-16-20-15-18(31(28,29)26-13-4-5-14-26)11-12-22(20)30-23(16)24(27)25-21-10-6-8-17-7-2-3-9-19(17)21/h2-3,7,9,11-12,15,21H,4-6,8,10,13-14H2,1H3,(H,25,27)
InChIKeyYAZJEXHKXYHANS-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.33
Rot. Bonds4

About 3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide

3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide (PubChem CID 3487710) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
PubChem CID3487710
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCCc3ccccc32)oc2ccc(S(=O)(=O)N3CCCC3)cc12
InChIInChI=1S/C24H26N2O4S/c1-16-20-15-18(31(28,29)26-13-4-5-14-26)11-12-22(20)30-23(16)24(27)25-21-10-6-8-17-7-2-3-9-19(17)21/h2-3,7,9,11-12,15,21H,4-6,8,10,13-14H2,1H3,(H,25,27)
InChIKeyYAZJEXHKXYHANS-UHFFFAOYSA-N
XLogP4.33
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
CID 9344736
2-methyl-5-piperidin-1-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2361857
3-methyl-N-(2-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 5220536
2-chloro-5-piperidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4235471
5-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246543
3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46385955
4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450785
N-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 4059945
N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 3530969
N,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide
CID 11631663
2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873581
2-methoxy-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 28570089

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide (CID 3487710) is 3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CCCc3ccccc32)oc2ccc(S(=O)(=O)N3CCCC3)cc12.
What is the InChIKey of 3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide?
The InChIKey is YAZJEXHKXYHANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-16-20-15-18(31(28,29)26-13-4-5-14-26)11-12-22(20)30-23(16)24(27)25-21-10-6-8-17-7-2-3-9-19(17)21/h2-3,7,9,11-12,15,21H,4-6,8,10,13-14H2,1H3,(H,25,27).
What are the key properties of 3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide?
3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3487710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).