4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide

C34H34N4O6S2 — CID 4313341

IUPAC4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C34H34N4O6S2/c39-33(25-13-17-27(18-14-25)45(41,42)37-21-5-6-22-37)35-31-11-3-1-9-29(31)30-10-2-4-12-32(30)36-34(40)26-15-19-28(20-16-26)46(43,44)38-23-7-8-24-38/h1-4,9-20H,5-8,21-24H2,(H,35,39)(H,36,40)
InChIKeyUZUOAIZKYKAWOR-UHFFFAOYSA-N
MW658.80 g/mol
LogP5.43
Rot. Bonds9

About 4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide

4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide (PubChem CID 4313341) has the molecular formula C34H34N4O6S2 and a molecular weight of 658.80 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
PubChem CID4313341
Molecular FormulaC34H34N4O6S2
Molecular Weight658.80 g/mol
Exact Mass658.19
IUPAC Name4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C34H34N4O6S2/c39-33(25-13-17-27(18-14-25)45(41,42)37-21-5-6-22-37)35-31-11-3-1-9-29(31)30-10-2-4-12-32(30)36-34(40)26-15-19-28(20-16-26)46(43,44)38-23-7-8-24-38/h1-4,9-20H,5-8,21-24H2,(H,35,39)(H,36,40)
InChIKeyUZUOAIZKYKAWOR-UHFFFAOYSA-N
XLogP5.43
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.80
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4549252
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
4-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 1428600
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16557461
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9442082
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 100680992
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123612
3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
CID 26727547
N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2315784

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide?
The IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide (CID 4313341) is 4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide is O=C(Nc1ccccc1-c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide?
The InChIKey is UZUOAIZKYKAWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O6S2/c39-33(25-13-17-27(18-14-25)45(41,42)37-21-5-6-22-37)35-31-11-3-1-9-29(31)30-10-2-4-12-32(30)36-34(40)26-15-19-28(20-16-26)46(43,44)38-23-7-8-24-38/h1-4,9-20H,5-8,21-24H2,(H,35,39)(H,36,40).
What are the key properties of 4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide?
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide has a molecular weight of 658.80 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide is sourced from PubChem (CID 4313341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).