N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide

C21H24N4O4S2 — CID 55774099

IUPACN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(-n3ccnc3SC)c2)cc1
InChIInChI=1S/C21H24N4O4S2/c1-15(14-29-2)24-31(27,28)19-9-7-17(8-10-19)23-20(26)16-5-4-6-18(13-16)25-12-11-22-21(25)30-3/h4-13,15,24H,14H2,1-3H3,(H,23,26)
InChIKeyNIEIEXKLYJOGKM-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.16
Rot. Bonds9

About N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide

N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide (PubChem CID 55774099) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
PubChem CID55774099
Molecular FormulaC21H24N4O4S2
Molecular Weight460.58 g/mol
Exact Mass460.12
IUPAC NameN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(-n3ccnc3SC)c2)cc1
InChIInChI=1S/C21H24N4O4S2/c1-15(14-29-2)24-31(27,28)19-9-7-17(8-10-19)23-20(26)16-5-4-6-18(13-16)25-12-11-22-21(25)30-3/h4-13,15,24H,14H2,1-3H3,(H,23,26)
InChIKeyNIEIEXKLYJOGKM-UHFFFAOYSA-N
XLogP3.16
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55774767
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 4780813
methyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 155977147
2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
CID 78778266
4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 42909880
6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide
CID 2547899
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide
CID 39948388
4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-(4-propylphenyl)benzamide
CID 9294142
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55381026
3-(2-methylsulfanylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 47045716
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 46616213

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The IUPAC name of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide (CID 55774099) is N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The canonical SMILES for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide is COCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(-n3ccnc3SC)c2)cc1.
What is the InChIKey of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The InChIKey is NIEIEXKLYJOGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-15(14-29-2)24-31(27,28)19-9-7-17(8-10-19)23-20(26)16-5-4-6-18(13-16)25-12-11-22-21(25)30-3/h4-13,15,24H,14H2,1-3H3,(H,23,26).
What are the key properties of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide?
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide has a molecular weight of 460.58 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide is sourced from PubChem (CID 55774099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).