2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-4-(1,2,4-oxadiazol-5-yl)-3-phenylpyrrol-2-ylidene]methyl]-3-(1,2,4-oxadiazol-5-yl)-4-phenyl-1H-pyrrol-2-yl]benzamide

C41H30N8O4 — CID 157132739

IUPAC2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-4-(1,2,4-oxadiazol-5-yl)-3-phenylpyrrol-2-ylidene]methyl]-3-(1,2,4-oxadiazol-5-yl)-4-phenyl-1H-pyrrol-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC1=NC(=Cc2[nH]c(NC(=O)c3ccccc3C)c(-c3ncno3)c2-c2ccccc2)C(c2ccccc2)=C1c1ncno1
InChIInChI=1S/C41H30N8O4/c1-24-13-9-11-19-28(24)38(50)48-36-34(40-42-22-44-52-40)32(26-15-5-3-6-16-26)30(46-36)21-31-33(27-17-7-4-8-18-27)35(41-43-23-45-53-41)37(47-31)49-39(51)29-20-12-10-14-25(29)2/h3-23,46H,1-2H3,(H,48,50)(H,47,49,51)
InChIKeyJNUKIPPPPLKQFW-UHFFFAOYSA-N
MW698.74 g/mol
LogP7.78
Rot. Bonds8

About 2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-4-(1,2,4-oxadiazol-5-yl)-3-phenylpyrrol-2-ylidene]methyl]-3-(1,2,4-oxadiazol-5-yl)-4-phenyl-1H-pyrrol-2-yl]benzamide

2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-4-(1,2,4-oxadiazol-5-yl)-3-phenylpyrrol-2-ylidene]methyl]-3-(1,2,4-oxadiazol-5-yl)-4-phenyl-1H-pyrrol-2-yl]benzamide (PubChem CID 157132739) has the molecular formula C41H30N8O4 and a molecular weight of 698.74 g/mol. Its IUPAC name is 2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-4-(1,2,4-oxadiazol-5-yl)-3-phenylpyrrol-2-ylidene]methyl]-3-(1,2,4-oxadiazol-5-yl)-4-phenyl-1H-pyrrol-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-4-(1,2,4-oxadiazol-5-yl)-3-phenylpyrrol-2-ylidene]methyl]-3-(1,2,4-oxadiazol-5-yl)-4-phenyl-1H-pyrrol-2-yl]benzamide
PubChem CID157132739
Molecular FormulaC41H30N8O4
Molecular Weight698.74 g/mol
Exact Mass698.24
IUPAC Name2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-4-(1,2,4-oxadiazol-5-yl)-3-phenylpyrrol-2-ylidene]methyl]-3-(1,2,4-oxadiazol-5-yl)-4-phenyl-1H-pyrrol-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC1=NC(=Cc2[nH]c(NC(=O)c3ccccc3C)c(-c3ncno3)c2-c2ccccc2)C(c2ccccc2)=C1c1ncno1
InChIInChI=1S/C41H30N8O4/c1-24-13-9-11-19-28(24)38(50)48-36-34(40-42-22-44-52-40)32(26-15-5-3-6-16-26)30(46-36)21-31-33(27-17-7-4-8-18-27)35(41-43-23-45-53-41)37(47-31)49-39(51)29-20-12-10-14-25(29)2/h3-23,46H,1-2H3,(H,48,50)(H,47,49,51)
InChIKeyJNUKIPPPPLKQFW-UHFFFAOYSA-N
XLogP7.78
TPSA164.19 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.74
LogP ≤ 57.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-4-(1,2,4-oxadiazol-5-yl)-3-phenylpyrrol-2-ylidene]methyl]-3-(1,2,4-oxadiazol-5-yl)-4-phenyl-1H-pyrrol-2-yl]benzamide with MolForge

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-(4-nitrophenyl)pyrrol-2-ylidene]methyl]-4-(4-nitrophenyl)-1H-pyrrol-2-yl]-2-methylbenzamide
CID 158822846
2-methyl-N-(4-methylpyrimidin-2-yl)benzamide
CID 132962288
N-[5-[[4-(5-methoxy-1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]-3-phenylpyrrol-2-ylidene]amino]-3-(5-methyl-1,3-benzothiazol-2-yl)-4-phenyl-1H-pyrrol-2-yl]-2-methylbenzamide
CID 157281057
N-[4-[4-(benzenesulfonyl)phenyl]-5-[[3-[4-(benzenesulfonyl)phenyl]-4-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-3-(1,3-benzothiazol-2-yl)-1H-pyrrol-2-yl]-2-methylbenzamide
CID 161325687
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747772
N-[3-(1,3-benzothiazol-2-yl)-5-[[4-(1,3-benzothiazol-2-yl)-3-(4-cyanophenyl)-5-[(2-methylbenzoyl)amino]pyrrol-2-ylidene]amino]-4-(4-cyanophenyl)-1H-pyrrol-2-yl]-2-methylbenzamide
CID 154009542
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
N-(1H-imidazol-2-yl)-2-methylbenzamide
CID 60968635
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
CID 17251498
4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 82371184
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 855627

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-4-(1,2,4-oxadiazol-5-yl)-3-phenylpyrrol-2-ylidene]methyl]-3-(1,2,4-oxadiazol-5-yl)-4-phenyl-1H-pyrrol-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-4-(1,2,4-oxadiazol-5-yl)-3-phenylpyrrol-2-ylidene]methyl]-3-(1,2,4-oxadiazol-5-yl)-4-phenyl-1H-pyrrol-2-yl]benzamide (CID 157132739) is 2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-4-(1,2,4-oxadiazol-5-yl)-3-phenylpyrrol-2-ylidene]methyl]-3-(1,2,4-oxadiazol-5-yl)-4-phenyl-1H-pyrrol-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-4-(1,2,4-oxadiazol-5-yl)-3-phenylpyrrol-2-ylidene]methyl]-3-(1,2,4-oxadiazol-5-yl)-4-phenyl-1H-pyrrol-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-4-(1,2,4-oxadiazol-5-yl)-3-phenylpyrrol-2-ylidene]methyl]-3-(1,2,4-oxadiazol-5-yl)-4-phenyl-1H-pyrrol-2-yl]benzamide is Cc1ccccc1C(=O)NC1=NC(=Cc2[nH]c(NC(=O)c3ccccc3C)c(-c3ncno3)c2-c2ccccc2)C(c2ccccc2)=C1c1ncno1.
What is the InChIKey of 2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-4-(1,2,4-oxadiazol-5-yl)-3-phenylpyrrol-2-ylidene]methyl]-3-(1,2,4-oxadiazol-5-yl)-4-phenyl-1H-pyrrol-2-yl]benzamide?
The InChIKey is JNUKIPPPPLKQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N8O4/c1-24-13-9-11-19-28(24)38(50)48-36-34(40-42-22-44-52-40)32(26-15-5-3-6-16-26)30(46-36)21-31-33(27-17-7-4-8-18-27)35(41-43-23-45-53-41)37(47-31)49-39(51)29-20-12-10-14-25(29)2/h3-23,46H,1-2H3,(H,48,50)(H,47,49,51).
What are the key properties of 2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-4-(1,2,4-oxadiazol-5-yl)-3-phenylpyrrol-2-ylidene]methyl]-3-(1,2,4-oxadiazol-5-yl)-4-phenyl-1H-pyrrol-2-yl]benzamide?
2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-4-(1,2,4-oxadiazol-5-yl)-3-phenylpyrrol-2-ylidene]methyl]-3-(1,2,4-oxadiazol-5-yl)-4-phenyl-1H-pyrrol-2-yl]benzamide has a molecular weight of 698.74 g/mol, XLogP of 7.78, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[[5-[(2-methylbenzoyl)amino]-4-(1,2,4-oxadiazol-5-yl)-3-phenylpyrrol-2-ylidene]methyl]-3-(1,2,4-oxadiazol-5-yl)-4-phenyl-1H-pyrrol-2-yl]benzamide is sourced from PubChem (CID 157132739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).