2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]-N-(2-pyrrol-1-ylphenyl)acetamide

C23H23N7O3S — CID 654426

IUPAC2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]-N-(2-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1)Nc1ccccc1-n1cccc1
InChIInChI=1S/C23H23N7O3S/c31-22(24-20-7-1-2-8-21(20)28-13-3-4-14-28)17-30-26-23(25-27-30)18-9-11-19(12-10-18)34(32,33)29-15-5-6-16-29/h1-4,7-14H,5-6,15-17H2,(H,24,31)
InChIKeyBCXHPQZURHAQSV-UHFFFAOYSA-N
MW477.55 g/mol
LogP2.55
Rot. Bonds7

About 2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]-N-(2-pyrrol-1-ylphenyl)acetamide

2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]-N-(2-pyrrol-1-ylphenyl)acetamide (PubChem CID 654426) has the molecular formula C23H23N7O3S and a molecular weight of 477.55 g/mol. Its IUPAC name is 2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]-N-(2-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]-N-(2-pyrrol-1-ylphenyl)acetamide
PubChem CID654426
Molecular FormulaC23H23N7O3S
Molecular Weight477.55 g/mol
Exact Mass477.16
IUPAC Name2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]-N-(2-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1)Nc1ccccc1-n1cccc1
InChIInChI=1S/C23H23N7O3S/c31-22(24-20-7-1-2-8-21(20)28-13-3-4-14-28)17-30-26-23(25-27-30)18-9-11-19(12-10-18)34(32,33)29-15-5-6-16-29/h1-4,7-14H,5-6,15-17H2,(H,24,31)
InChIKeyBCXHPQZURHAQSV-UHFFFAOYSA-N
XLogP2.55
TPSA115.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]-N-(2-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of 2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]-N-(2-pyrrol-1-ylphenyl)acetamide (CID 654426) is 2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]-N-(2-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]-N-(2-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for 2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]-N-(2-pyrrol-1-ylphenyl)acetamide is O=C(Cn1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1)Nc1ccccc1-n1cccc1.
What is the InChIKey of 2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]-N-(2-pyrrol-1-ylphenyl)acetamide?
The InChIKey is BCXHPQZURHAQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3S/c31-22(24-20-7-1-2-8-21(20)28-13-3-4-14-28)17-30-26-23(25-27-30)18-9-11-19(12-10-18)34(32,33)29-15-5-6-16-29/h1-4,7-14H,5-6,15-17H2,(H,24,31).
What are the key properties of 2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]-N-(2-pyrrol-1-ylphenyl)acetamide?
2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]-N-(2-pyrrol-1-ylphenyl)acetamide has a molecular weight of 477.55 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]-N-(2-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 654426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).