N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide

C17H23NO4S — CID 56789337

IUPACN-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide
SMILESCc1c(C(NC(=O)C(C)S(C)(=O)=O)C(C)C)oc2ccccc12
InChIInChI=1S/C17H23NO4S/c1-10(2)15(18-17(19)12(4)23(5,20)21)16-11(3)13-8-6-7-9-14(13)22-16/h6-10,12,15H,1-5H3,(H,18,19)
InChIKeyIPAWJFALGDJOCC-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.99
Rot. Bonds5

About N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide

N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide (PubChem CID 56789337) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide
PubChem CID56789337
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC NameN-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide
SMILESCc1c(C(NC(=O)C(C)S(C)(=O)=O)C(C)C)oc2ccccc12
InChIInChI=1S/C17H23NO4S/c1-10(2)15(18-17(19)12(4)23(5,20)21)16-11(3)13-8-6-7-9-14(13)22-16/h6-10,12,15H,1-5H3,(H,18,19)
InChIKeyIPAWJFALGDJOCC-UHFFFAOYSA-N
XLogP2.99
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide
CID 95328711
1-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-3-(4-methylsulfonylphenyl)urea
CID 166532501
2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride
CID 119323150
3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide
CID 119323143
7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide
CID 119782837
4-[[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001879
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide
CID 47062264
(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
CID 119737273
1-[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-3-(1-propan-2-ylpyrrolidin-3-yl)urea
CID 176854087
2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119782858
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 43777697
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
CID 43778207

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide (CID 56789337) is N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide is Cc1c(C(NC(=O)C(C)S(C)(=O)=O)C(C)C)oc2ccccc12.
What is the InChIKey of N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide?
The InChIKey is IPAWJFALGDJOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4S/c1-10(2)15(18-17(19)12(4)23(5,20)21)16-11(3)13-8-6-7-9-14(13)22-16/h6-10,12,15H,1-5H3,(H,18,19).
What are the key properties of N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide?
N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide has a molecular weight of 337.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 56789337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).