N-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide

C29H32N4O4S — CID 59636719

IUPACN-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESCN(Cc1cccc(S(C)(=O)=O)c1)C(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
InChIInChI=1S/C29H32N4O4S/c1-31(21-22-7-5-10-25(19-22)38(2,35)36)29(34)27-20-23-8-6-11-26(28(23)37-27)33-17-15-32(16-18-33)14-12-24-9-3-4-13-30-24/h3-11,13,19-20H,12,14-18,21H2,1-2H3
InChIKeyBGPFUQDEHMKOKJ-UHFFFAOYSA-N
MW532.67 g/mol
LogP3.87
Rot. Bonds8

About N-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide

N-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide (PubChem CID 59636719) has the molecular formula C29H32N4O4S and a molecular weight of 532.67 g/mol. Its IUPAC name is N-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
PubChem CID59636719
Molecular FormulaC29H32N4O4S
Molecular Weight532.67 g/mol
Exact Mass532.21
IUPAC NameN-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESCN(Cc1cccc(S(C)(=O)=O)c1)C(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
InChIInChI=1S/C29H32N4O4S/c1-31(21-22-7-5-10-25(19-22)38(2,35)36)29(34)27-20-23-8-6-11-26(28(23)37-27)33-17-15-32(16-18-33)14-12-24-9-3-4-13-30-24/h3-11,13,19-20H,12,14-18,21H2,1-2H3
InChIKeyBGPFUQDEHMKOKJ-UHFFFAOYSA-N
XLogP3.87
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.67
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide 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

7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 59636771
N-[(3-methoxyphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 59636733
N-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 59636782
7-amino-N-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 88982646
N-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
CID 24732077
N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 171910751
N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide
CID 47090107
N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide
CID 134055383
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46056291
1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone
CID 91843582
5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole
CID 71973108
1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
CID 17408313

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide (CID 59636719) is N-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide is CN(Cc1cccc(S(C)(=O)=O)c1)C(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1.
What is the InChIKey of N-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
The InChIKey is BGPFUQDEHMKOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4S/c1-31(21-22-7-5-10-25(19-22)38(2,35)36)29(34)27-20-23-8-6-11-26(28(23)37-27)33-17-15-32(16-18-33)14-12-24-9-3-4-13-30-24/h3-11,13,19-20H,12,14-18,21H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide?
N-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide has a molecular weight of 532.67 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylsulfonylphenyl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59636719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).