(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide

C22H26N4O4S2 — CID 41216514

IUPAC(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCOc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1
InChIInChI=1S/C22H26N4O4S2/c1-15-6-11-19(32(28,29)25(3)4)14-20(15)24-21(27)16(2)31-22-23-12-13-26(22)17-7-9-18(30-5)10-8-17/h6-14,16H,1-5H3,(H,24,27)/t16-/m1/s1
InChIKeyQPUGYOXIDBJMLZ-MRXNPFEDSA-N
MW474.61 g/mol
LogP3.56
Rot. Bonds8

About (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide

(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 41216514) has the molecular formula C22H26N4O4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID41216514
Molecular FormulaC22H26N4O4S2
Molecular Weight474.61 g/mol
Exact Mass474.14
IUPAC Name(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCOc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1
InChIInChI=1S/C22H26N4O4S2/c1-15-6-11-19(32(28,29)25(3)4)14-20(15)24-21(27)16(2)31-22-23-12-13-26(22)17-7-9-18(30-5)10-8-17/h6-14,16H,1-5H3,(H,24,27)/t16-/m1/s1
InChIKeyQPUGYOXIDBJMLZ-MRXNPFEDSA-N
XLogP3.56
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 55423839
(2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 25390631
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 46687931
N-(2,4-difluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46625433
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-methylpropanamide
CID 37286849
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 46812280
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)propanamide
CID 41082545
(2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40506992
(2R)-N-(3-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675396
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 18291422
(2R)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-prop-2-enylpropanamide
CID 40675400
ethyl 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanoate
CID 60600653

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide (CID 41216514) is (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide is COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1.
What is the InChIKey of (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is QPUGYOXIDBJMLZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O4S2/c1-15-6-11-19(32(28,29)25(3)4)14-20(15)24-21(27)16(2)31-22-23-12-13-26(22)17-7-9-18(30-5)10-8-17/h6-14,16H,1-5H3,(H,24,27)/t16-/m1/s1.
What are the key properties of (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 474.61 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 41216514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).