N-[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]-4-methyl-3-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]benzamide

C30H38N6O3S — CID 71128204

IUPACN-[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]-4-methyl-3-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]benzamide
SMILESCOc1c(NC(=O)c2ccc(C)c(-n3cnc(-c4cnn(C(C)C)c4C)c3)c2)cc(C(C)(C)C)cc1NS(C)=O
InChIInChI=1S/C30H38N6O3S/c1-18(2)36-20(4)23(15-32-36)26-16-35(17-31-26)27-12-21(11-10-19(27)3)29(37)33-24-13-22(30(5,6)7)14-25(28(24)39-8)34-40(9)38/h10-18,34H,1-9H3,(H,33,37)
InChIKeyOWQONVSZVVGBHG-UHFFFAOYSA-N
MW562.74 g/mol
LogP6.20
Rot. Bonds8

About N-[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]-4-methyl-3-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]benzamide

N-[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]-4-methyl-3-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]benzamide (PubChem CID 71128204) has the molecular formula C30H38N6O3S and a molecular weight of 562.74 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]-4-methyl-3-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]-4-methyl-3-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]benzamide
PubChem CID71128204
Molecular FormulaC30H38N6O3S
Molecular Weight562.74 g/mol
Exact Mass562.27
IUPAC NameN-[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]-4-methyl-3-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]benzamide
SMILESCOc1c(NC(=O)c2ccc(C)c(-n3cnc(-c4cnn(C(C)C)c4C)c3)c2)cc(C(C)(C)C)cc1NS(C)=O
InChIInChI=1S/C30H38N6O3S/c1-18(2)36-20(4)23(15-32-36)26-16-35(17-31-26)27-12-21(11-10-19(27)3)29(37)33-24-13-22(30(5,6)7)14-25(28(24)39-8)34-40(9)38/h10-18,34H,1-9H3,(H,33,37)
InChIKeyOWQONVSZVVGBHG-UHFFFAOYSA-N
XLogP6.20
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.74
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]-4-methyl-3-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[5-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-2-methylphenyl]imidazole-4-carboxylate
CID 11562766
3-[4-(5-ethyl-1-phenylpyrazol-4-yl)imidazol-1-yl]-N-[3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 21097094
1-[5-[(5-tert-butyl-3-cyano-2-methoxyphenyl)carbamoyl]-2-methylphenyl]imidazole-4-carboxylic acid;2,2-dimethylpropanamide
CID 69342282
N-[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]-4-methyl-3-[[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]benzamide
CID 70866345
1-[5-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-2-methylphenyl]imidazole-4-carboxylic acid;pyridin-3-ylmethanamine
CID 69342501
1-[5-[(5-tert-butyl-2-methoxy-3-methylsulfinylphenyl)carbamoyl]-2-methylphenyl]triazole-4-carboxylic acid
CID 69056775
3-[4-(5-ethyl-1-phenylpyrazol-4-yl)imidazol-1-yl]-N-[3-(methanesulfonamido)-2-methoxy-5-(1-methylcyclopropyl)phenyl]-4-methylbenzamide
CID 21097093
N-[5-tert-butyl-2-methoxy-3-[methyl(prop-2-enyl)amino]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide
CID 25171217
N-[3-[[tert-butyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide
CID 58366768
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)triazol-1-yl]-4-methylbenzamide
CID 21097136
1-[5-[[3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazole-4-carboxylic acid
CID 69056210
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methylpyridine-3-carboxamide
CID 45255705

Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]-4-methyl-3-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]benzamide?
The IUPAC name of N-[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]-4-methyl-3-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]benzamide (CID 71128204) is N-[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]-4-methyl-3-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]benzamide.
What is the SMILES notation for N-[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]-4-methyl-3-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]benzamide?
The canonical SMILES for N-[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]-4-methyl-3-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]benzamide is COc1c(NC(=O)c2ccc(C)c(-n3cnc(-c4cnn(C(C)C)c4C)c3)c2)cc(C(C)(C)C)cc1NS(C)=O.
What is the InChIKey of N-[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]-4-methyl-3-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]benzamide?
The InChIKey is OWQONVSZVVGBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O3S/c1-18(2)36-20(4)23(15-32-36)26-16-35(17-31-26)27-12-21(11-10-19(27)3)29(37)33-24-13-22(30(5,6)7)14-25(28(24)39-8)34-40(9)38/h10-18,34H,1-9H3,(H,33,37).
What are the key properties of N-[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]-4-methyl-3-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]benzamide?
N-[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]-4-methyl-3-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]benzamide has a molecular weight of 562.74 g/mol, XLogP of 6.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-3-(methanesulfinamido)-2-methoxyphenyl]-4-methyl-3-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]benzamide is sourced from PubChem (CID 71128204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).