N-(2-chloro-5-methoxyphenyl)sulfonyl-5-propan-2-yl-2-(3-propan-2-ylphenyl)-1H-imidazole-4-carboxamide

C23H26ClN3O4S — CID 146335150

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-5-propan-2-yl-2-(3-propan-2-ylphenyl)-1H-imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(-c3cccc(C(C)C)c3)[nH]c2C(C)C)c1
InChIInChI=1S/C23H26ClN3O4S/c1-13(2)15-7-6-8-16(11-15)22-25-20(14(3)4)21(26-22)23(28)27-32(29,30)19-12-17(31-5)9-10-18(19)24/h6-14H,1-5H3,(H,25,26)(H,27,28)
InChIKeyWEQFUBXKEXDUMO-UHFFFAOYSA-N
MW476.00 g/mol
LogP5.10
Rot. Bonds7

About N-(2-chloro-5-methoxyphenyl)sulfonyl-5-propan-2-yl-2-(3-propan-2-ylphenyl)-1H-imidazole-4-carboxamide

N-(2-chloro-5-methoxyphenyl)sulfonyl-5-propan-2-yl-2-(3-propan-2-ylphenyl)-1H-imidazole-4-carboxamide (PubChem CID 146335150) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-5-propan-2-yl-2-(3-propan-2-ylphenyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-5-propan-2-yl-2-(3-propan-2-ylphenyl)-1H-imidazole-4-carboxamide
PubChem CID146335150
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-5-propan-2-yl-2-(3-propan-2-ylphenyl)-1H-imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(-c3cccc(C(C)C)c3)[nH]c2C(C)C)c1
InChIInChI=1S/C23H26ClN3O4S/c1-13(2)15-7-6-8-16(11-15)22-25-20(14(3)4)21(26-22)23(28)27-32(29,30)19-12-17(31-5)9-10-18(19)24/h6-14H,1-5H3,(H,25,26)(H,27,28)
InChIKeyWEQFUBXKEXDUMO-UHFFFAOYSA-N
XLogP5.10
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.00
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide
CID 139453142
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CID 139085848
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116595
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
CID 139453275
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
CID 139453250
2-[(2-chloro-5-methoxyphenyl)sulfonylamino]-3-methylpentanoic acid
CID 139021759
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
CID 139453144
1-methoxy-4-(3-propan-2-ylphenyl)benzene
CID 20871880
1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 139201725
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 99951817
1-methoxy-3-(3-propan-2-ylphenyl)benzene
CID 23110868
3-[(2-chloro-5-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 138044228

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-5-propan-2-yl-2-(3-propan-2-ylphenyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-5-propan-2-yl-2-(3-propan-2-ylphenyl)-1H-imidazole-4-carboxamide (CID 146335150) is N-(2-chloro-5-methoxyphenyl)sulfonyl-5-propan-2-yl-2-(3-propan-2-ylphenyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-5-propan-2-yl-2-(3-propan-2-ylphenyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-5-propan-2-yl-2-(3-propan-2-ylphenyl)-1H-imidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(-c3cccc(C(C)C)c3)[nH]c2C(C)C)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-5-propan-2-yl-2-(3-propan-2-ylphenyl)-1H-imidazole-4-carboxamide?
The InChIKey is WEQFUBXKEXDUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-13(2)15-7-6-8-16(11-15)22-25-20(14(3)4)21(26-22)23(28)27-32(29,30)19-12-17(31-5)9-10-18(19)24/h6-14H,1-5H3,(H,25,26)(H,27,28).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-5-propan-2-yl-2-(3-propan-2-ylphenyl)-1H-imidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-5-propan-2-yl-2-(3-propan-2-ylphenyl)-1H-imidazole-4-carboxamide has a molecular weight of 476.00 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)sulfonyl-5-propan-2-yl-2-(3-propan-2-ylphenyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 146335150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).