N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]-2-(2-methoxyphenyl)-1H-imidazole-5-carboxamide

C24H21BrN4O4S — CID 168786275

IUPACN-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]-2-(2-methoxyphenyl)-1H-imidazole-5-carboxamide
SMILESCOc1ccccc1-c1ncc(C(=O)Nc2ccc(OC)c(S(=O)Nc3ccc(Br)cc3)c2)[nH]1
InChIInChI=1S/C24H21BrN4O4S/c1-32-20-6-4-3-5-18(20)23-26-14-19(28-23)24(30)27-17-11-12-21(33-2)22(13-17)34(31)29-16-9-7-15(25)8-10-16/h3-14,29H,1-2H3,(H,26,28)(H,27,30)
InChIKeyAIYVIPQRJNFXAJ-UHFFFAOYSA-N
MW541.43 g/mol
LogP5.24
Rot. Bonds8

About N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]-2-(2-methoxyphenyl)-1H-imidazole-5-carboxamide

N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]-2-(2-methoxyphenyl)-1H-imidazole-5-carboxamide (PubChem CID 168786275) has the molecular formula C24H21BrN4O4S and a molecular weight of 541.43 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]-2-(2-methoxyphenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]-2-(2-methoxyphenyl)-1H-imidazole-5-carboxamide
PubChem CID168786275
Molecular FormulaC24H21BrN4O4S
Molecular Weight541.43 g/mol
Exact Mass540.05
IUPAC NameN-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]-2-(2-methoxyphenyl)-1H-imidazole-5-carboxamide
SMILESCOc1ccccc1-c1ncc(C(=O)Nc2ccc(OC)c(S(=O)Nc3ccc(Br)cc3)c2)[nH]1
InChIInChI=1S/C24H21BrN4O4S/c1-32-20-6-4-3-5-18(20)23-26-14-19(28-23)24(30)27-17-11-12-21(33-2)22(13-17)34(31)29-16-9-7-15(25)8-10-16/h3-14,29H,1-2H3,(H,26,28)(H,27,30)
InChIKeyAIYVIPQRJNFXAJ-UHFFFAOYSA-N
XLogP5.24
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.43
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-methylphenyl)-1H-imidazole-5-carboxamide
CID 156860021
N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]formamide
CID 156859682
N-[3-[6-bromohexyl-(4-bromophenyl)sulfinamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 168786175
5-bromo-N-(3-bromo-4-methoxyphenyl)pyridine-2-carboxamide
CID 63999815
4-bromo-N-(4-bromo-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 79421457
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077
2-[2-(2-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
CID 82289480
N-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352005
N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide
CID 115274447
2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile
CID 57438381
4-bromo-N-(4-chloro-3-methoxyphenyl)benzamide
CID 107271772

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]-2-(2-methoxyphenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]-2-(2-methoxyphenyl)-1H-imidazole-5-carboxamide (CID 168786275) is N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]-2-(2-methoxyphenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]-2-(2-methoxyphenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]-2-(2-methoxyphenyl)-1H-imidazole-5-carboxamide is COc1ccccc1-c1ncc(C(=O)Nc2ccc(OC)c(S(=O)Nc3ccc(Br)cc3)c2)[nH]1.
What is the InChIKey of N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]-2-(2-methoxyphenyl)-1H-imidazole-5-carboxamide?
The InChIKey is AIYVIPQRJNFXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN4O4S/c1-32-20-6-4-3-5-18(20)23-26-14-19(28-23)24(30)27-17-11-12-21(33-2)22(13-17)34(31)29-16-9-7-15(25)8-10-16/h3-14,29H,1-2H3,(H,26,28)(H,27,30).
What are the key properties of N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]-2-(2-methoxyphenyl)-1H-imidazole-5-carboxamide?
N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]-2-(2-methoxyphenyl)-1H-imidazole-5-carboxamide has a molecular weight of 541.43 g/mol, XLogP of 5.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]-2-(2-methoxyphenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 168786275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).