N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide

C27H24N2O5S — CID 137452341

IUPACN-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C27H24N2O5S/c30-26(25-17-21-5-1-2-6-24(21)34-25)28-18-19-7-11-22(12-8-19)35(32,33)23-13-9-20(10-14-23)27(31)29-15-3-4-16-29/h1-2,5-14,17H,3-4,15-16,18H2,(H,28,30)
InChIKeyMPROXQDSYDBNQO-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.43
Rot. Bonds6

About N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide

N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 137452341) has the molecular formula C27H24N2O5S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID137452341
Molecular FormulaC27H24N2O5S
Molecular Weight488.57 g/mol
Exact Mass488.14
IUPAC NameN-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C27H24N2O5S/c30-26(25-17-21-5-1-2-6-24(21)34-25)28-18-19-7-11-22(12-8-19)35(32,33)23-13-9-20(10-14-23)27(31)29-15-3-4-16-29/h1-2,5-14,17H,3-4,15-16,18H2,(H,28,30)
InChIKeyMPROXQDSYDBNQO-UHFFFAOYSA-N
XLogP4.43
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70984780
5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 55959743
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 47029137
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 8573229
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid
CID 71476314
N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 66610729
5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 43043536
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 18153751
2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 46655948

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide (CID 137452341) is N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is MPROXQDSYDBNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5S/c30-26(25-17-21-5-1-2-6-24(21)34-25)28-18-19-7-11-22(12-8-19)35(32,33)23-13-9-20(10-14-23)27(31)29-15-3-4-16-29/h1-2,5-14,17H,3-4,15-16,18H2,(H,28,30).
What are the key properties of N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide?
N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 488.57 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 137452341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).