1,2-dimethyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]imidazole-4-sulfonamide

C22H29N5O3S — CID 87331947

IUPAC1,2-dimethyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]imidazole-4-sulfonamide
SMILESCC(=O)CCCCC[C@H](NS(=O)(=O)c1cn(C)c(C)n1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C22H29N5O3S/c1-16(28)10-6-4-9-13-19(26-31(29,30)21-15-27(3)17(2)24-21)22-23-14-20(25-22)18-11-7-5-8-12-18/h5,7-8,11-12,14-15,19,26H,4,6,9-10,13H2,1-3H3,(H,23,25)/t19-/m0/s1
InChIKeyOXLOWFABBJXROX-IBGZPJMESA-N
MW443.57 g/mol
LogP3.68
Rot. Bonds11

About 1,2-dimethyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]imidazole-4-sulfonamide

1,2-dimethyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]imidazole-4-sulfonamide (PubChem CID 87331947) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is 1,2-dimethyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]imidazole-4-sulfonamide
PubChem CID87331947
Molecular FormulaC22H29N5O3S
Molecular Weight443.57 g/mol
Exact Mass443.20
IUPAC Name1,2-dimethyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]imidazole-4-sulfonamide
SMILESCC(=O)CCCCC[C@H](NS(=O)(=O)c1cn(C)c(C)n1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C22H29N5O3S/c1-16(28)10-6-4-9-13-19(26-31(29,30)21-15-27(3)17(2)24-21)22-23-14-20(25-22)18-11-7-5-8-12-18/h5,7-8,11-12,14-15,19,26H,4,6,9-10,13H2,1-3H3,(H,23,25)/t19-/m0/s1
InChIKeyOXLOWFABBJXROX-IBGZPJMESA-N
XLogP3.68
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,2-dimethyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]imidazole-4-sulfonamide with MolForge

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Related Compounds

4-nitro-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]benzenesulfonamide
CID 87332193
3-(difluoromethoxy)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]benzenesulfonamide
CID 87331555
5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]thiophene-2-sulfonamide
CID 87332166
1-methyl-N-[(1S)-7-oxo-1-[5-(4-phenylphenyl)-1H-imidazol-2-yl]octyl]piperidine-4-carboxamide
CID 44589633
2-naphthalen-2-yl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide;2,2,2-trifluoroacetic acid
CID 171932643
N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171932958
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide
CID 67268971
N-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxooctyl]-1-methylpiperidine-4-carboxamide
CID 44589632
(3R)-1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxooctyl]pyrrolidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171928604
2-(5-chloro-1-benzothiophen-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide
CID 67269007
5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid
CID 62062966
N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide
CID 87332007

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]imidazole-4-sulfonamide (CID 87331947) is 1,2-dimethyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]imidazole-4-sulfonamide is CC(=O)CCCCC[C@H](NS(=O)(=O)c1cn(C)c(C)n1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 1,2-dimethyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]imidazole-4-sulfonamide?
The InChIKey is OXLOWFABBJXROX-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N5O3S/c1-16(28)10-6-4-9-13-19(26-31(29,30)21-15-27(3)17(2)24-21)22-23-14-20(25-22)18-11-7-5-8-12-18/h5,7-8,11-12,14-15,19,26H,4,6,9-10,13H2,1-3H3,(H,23,25)/t19-/m0/s1.
What are the key properties of 1,2-dimethyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]imidazole-4-sulfonamide has a molecular weight of 443.57 g/mol, XLogP of 3.68, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]imidazole-4-sulfonamide is sourced from PubChem (CID 87331947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).