N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide

C22H25N3O5S — CID 16825869

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C22H25N3O5S/c1-29-20-9-5-3-7-18(20)24-11-13-25(14-12-24)31(27,28)15-10-23-22(26)21-16-17-6-2-4-8-19(17)30-21/h2-9,16H,10-15H2,1H3,(H,23,26)
InChIKeyOXMPPDUGGCWKJR-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.32
Rot. Bonds7

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide (PubChem CID 16825869) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide
PubChem CID16825869
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C22H25N3O5S/c1-29-20-9-5-3-7-18(20)24-11-13-25(14-12-24)31(27,28)15-10-23-22(26)21-16-17-6-2-4-8-19(17)30-21/h2-9,16H,10-15H2,1H3,(H,23,26)
InChIKeyOXMPPDUGGCWKJR-UHFFFAOYSA-N
XLogP2.32
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
CID 22578905
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 22578896
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]-1-benzofuran-2-carboxamide
CID 25285444
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide
CID 22578894
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide
CID 24790968
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 47790503
1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
CID 669263
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9483304
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-1-benzofuran-2-carboxamide
CID 29196259
2-oxo-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]chromene-3-carboxamide
CID 41349669
2-methoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
CID 41349582

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide (CID 16825869) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide is COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2cc3ccccc3o2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide?
The InChIKey is OXMPPDUGGCWKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-29-20-9-5-3-7-18(20)24-11-13-25(14-12-24)31(27,28)15-10-23-22(26)21-16-17-6-2-4-8-19(17)30-21/h2-9,16H,10-15H2,1H3,(H,23,26).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16825869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).