2,2-dimethyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-5-sulfamoyl-3H-1-benzofuran-7-carboxamide

C24H31N3O4S — CID 139610407

IUPAC2,2-dimethyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-5-sulfamoyl-3H-1-benzofuran-7-carboxamide
SMILESCC1(C)Cc2cc(S(N)(=O)=O)cc(C(=O)NC[C@H]3CCCN3CCc3ccccc3)c2O1
InChIInChI=1S/C24H31N3O4S/c1-24(2)15-18-13-20(32(25,29)30)14-21(22(18)31-24)23(28)26-16-19-9-6-11-27(19)12-10-17-7-4-3-5-8-17/h3-5,7-8,13-14,19H,6,9-12,15-16H2,1-2H3,(H,26,28)(H2,25,29,30)/t19-/m1/s1
InChIKeyUIHXFTYYYGGDMF-LJQANCHMSA-N
MW457.60 g/mol
LogP2.48
Rot. Bonds7

About 2,2-dimethyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-5-sulfamoyl-3H-1-benzofuran-7-carboxamide

2,2-dimethyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-5-sulfamoyl-3H-1-benzofuran-7-carboxamide (PubChem CID 139610407) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-5-sulfamoyl-3H-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-5-sulfamoyl-3H-1-benzofuran-7-carboxamide
PubChem CID139610407
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name2,2-dimethyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-5-sulfamoyl-3H-1-benzofuran-7-carboxamide
SMILESCC1(C)Cc2cc(S(N)(=O)=O)cc(C(=O)NC[C@H]3CCCN3CCc3ccccc3)c2O1
InChIInChI=1S/C24H31N3O4S/c1-24(2)15-18-13-20(32(25,29)30)14-21(22(18)31-24)23(28)26-16-19-9-6-11-27(19)12-10-17-7-4-3-5-8-17/h3-5,7-8,13-14,19H,6,9-12,15-16H2,1-2H3,(H,26,28)(H2,25,29,30)/t19-/m1/s1
InChIKeyUIHXFTYYYGGDMF-LJQANCHMSA-N
XLogP2.48
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-5-sulfamoyl-3H-1-benzofuran-7-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2,2-dimethyl-5-sulfamoyl-3H-1-benzofuran-7-carboxamide
CID 139610410
4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide
CID 11385742
2,3-dimethoxy-N-[[(2R)-1-propylpyrrolidin-2-yl]methyl]-5-sulfamoylbenzamide
CID 172640676
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124873073
2-methoxy-N-[[(2S)-1-nonylpyrrolidin-2-yl]methyl]-5-sulfamoylbenzamide
CID 15664993
2,3-dimethoxy-N-[[(2R)-1-prop-2-enylpyrrolidin-2-yl]methyl]-5-sulfamoylbenzamide
CID 969473
N-[[(2S)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide
CID 70606438
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 95074858
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide
CID 155950546

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-5-sulfamoyl-3H-1-benzofuran-7-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-5-sulfamoyl-3H-1-benzofuran-7-carboxamide (CID 139610407) is 2,2-dimethyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-5-sulfamoyl-3H-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-5-sulfamoyl-3H-1-benzofuran-7-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-5-sulfamoyl-3H-1-benzofuran-7-carboxamide is CC1(C)Cc2cc(S(N)(=O)=O)cc(C(=O)NC[C@H]3CCCN3CCc3ccccc3)c2O1.
What is the InChIKey of 2,2-dimethyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-5-sulfamoyl-3H-1-benzofuran-7-carboxamide?
The InChIKey is UIHXFTYYYGGDMF-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-24(2)15-18-13-20(32(25,29)30)14-21(22(18)31-24)23(28)26-16-19-9-6-11-27(19)12-10-17-7-4-3-5-8-17/h3-5,7-8,13-14,19H,6,9-12,15-16H2,1-2H3,(H,26,28)(H2,25,29,30)/t19-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-5-sulfamoyl-3H-1-benzofuran-7-carboxamide?
2,2-dimethyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-5-sulfamoyl-3H-1-benzofuran-7-carboxamide has a molecular weight of 457.60 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-5-sulfamoyl-3H-1-benzofuran-7-carboxamide is sourced from PubChem (CID 139610407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).