4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide

C27H23N3O5S — CID 70797255

IUPAC4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1ccc(C(N)=O)c(-c2cc(S(C)(=O)=O)ccc2C(=O)Nc2cccc(-c3ccccn3)c2)c1
InChIInChI=1S/C27H23N3O5S/c1-35-19-9-11-21(26(28)31)23(15-19)24-16-20(36(2,33)34)10-12-22(24)27(32)30-18-7-5-6-17(14-18)25-8-3-4-13-29-25/h3-16H,1-2H3,(H2,28,31)(H,30,32)
InChIKeyCVTJESHFRGZKLB-UHFFFAOYSA-N
MW501.56 g/mol
LogP4.18
Rot. Bonds7

About 4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide

4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide (PubChem CID 70797255) has the molecular formula C27H23N3O5S and a molecular weight of 501.56 g/mol. Its IUPAC name is 4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide
PubChem CID70797255
Molecular FormulaC27H23N3O5S
Molecular Weight501.56 g/mol
Exact Mass501.14
IUPAC Name4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1ccc(C(N)=O)c(-c2cc(S(C)(=O)=O)ccc2C(=O)Nc2cccc(-c3ccccn3)c2)c1
InChIInChI=1S/C27H23N3O5S/c1-35-19-9-11-21(26(28)31)23(15-19)24-16-20(36(2,33)34)10-12-22(24)27(32)30-18-7-5-6-17(14-18)25-8-3-4-13-29-25/h3-16H,1-2H3,(H2,28,31)(H,30,32)
InChIKeyCVTJESHFRGZKLB-UHFFFAOYSA-N
XLogP4.18
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.56
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide
CID 70797434
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide
CID 70797407
4-methylsulfonyl-N-(3-pyridin-2-ylphenyl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 70797526
2-(4-methoxyphenyl)-4-methylsulfonyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
CID 50913867
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide
CID 70797280
N-(3-methoxyphenyl)-2-pyridin-2-ylbenzamide
CID 140997803
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2,3-dichlorophenyl)-4-methylsulfonylbenzamide
CID 70797228
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(4-methoxy-3-methylphenyl)-4-methylsulfonylbenzamide
CID 70797287
2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
CID 70797233
1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea
CID 142392133
4-methoxy-N,2-diphenylbenzamide
CID 156739257
N-(3-methoxyphenyl)-2-pyridin-2-ylpyridine-3-carboxamide
CID 10125587

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide (CID 70797255) is 4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide is COc1ccc(C(N)=O)c(-c2cc(S(C)(=O)=O)ccc2C(=O)Nc2cccc(-c3ccccn3)c2)c1.
What is the InChIKey of 4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is CVTJESHFRGZKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O5S/c1-35-19-9-11-21(26(28)31)23(15-19)24-16-20(36(2,33)34)10-12-22(24)27(32)30-18-7-5-6-17(14-18)25-8-3-4-13-29-25/h3-16H,1-2H3,(H2,28,31)(H,30,32).
What are the key properties of 4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide?
4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 501.56 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 70797255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).