(2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide

C22H24N4O2S — CID 2560083

IUPAC(2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)[nH]1
InChIInChI=1S/C22H24N4O2S/c1-13-5-9-16(10-6-13)18-19(17-11-7-14(2)8-12-17)25-22(24-18)29-15(3)20(27)26-21(28)23-4/h5-12,15H,1-4H3,(H,24,25)(H2,23,26,27,28)/t15-/m1/s1
InChIKeyVIYRTIPRPPZCKW-OAHLLOKOSA-N
MW408.53 g/mol
LogP4.30
Rot. Bonds5

About (2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide

(2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide (PubChem CID 2560083) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is (2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
PubChem CID2560083
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name(2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)[nH]1
InChIInChI=1S/C22H24N4O2S/c1-13-5-9-16(10-6-13)18-19(17-11-7-14(2)8-12-17)25-22(24-18)29-15(3)20(27)26-21(28)23-4/h5-12,15H,1-4H3,(H,24,25)(H2,23,26,27,28)/t15-/m1/s1
InChIKeyVIYRTIPRPPZCKW-OAHLLOKOSA-N
XLogP4.30
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 4825068
(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 9457048
ethyl 4-[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoate
CID 23886555
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25036402
(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate
CID 6919625
4-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoylamino]benzoic acid
CID 23942557
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25045818
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 17493031
methyl 2-[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 23914616
(2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7458289
N-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 23970510
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25038305

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide (CID 2560083) is (2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)[nH]1.
What is the InChIKey of (2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide?
The InChIKey is VIYRTIPRPPZCKW-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-13-5-9-16(10-6-13)18-19(17-11-7-14(2)8-12-17)25-22(24-18)29-15(3)20(27)26-21(28)23-4/h5-12,15H,1-4H3,(H,24,25)(H2,23,26,27,28)/t15-/m1/s1.
What are the key properties of (2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide?
(2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide has a molecular weight of 408.53 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 2560083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).