(2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide

C21H23N3OS — CID 1242345

IUPAC(2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)[C@H](C)Sc2ncc(-c3ccccc3)[nH]2)c(C)c1
InChIInChI=1S/C21H23N3OS/c1-13-10-14(2)19(15(3)11-13)24-20(25)16(4)26-21-22-12-18(23-21)17-8-6-5-7-9-17/h5-12,16H,1-4H3,(H,22,23)(H,24,25)/t16-/m0/s1
InChIKeyUZTUJGDYVMNBDN-INIZCTEOSA-N
MW365.50 g/mol
LogP5.12
Rot. Bonds5

About (2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide

(2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 1242345) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is (2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID1242345
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name(2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)[C@H](C)Sc2ncc(-c3ccccc3)[nH]2)c(C)c1
InChIInChI=1S/C21H23N3OS/c1-13-10-14(2)19(15(3)11-13)24-20(25)16(4)26-21-22-12-18(23-21)17-8-6-5-7-9-17/h5-12,16H,1-4H3,(H,22,23)(H,24,25)/t16-/m0/s1
InChIKeyUZTUJGDYVMNBDN-INIZCTEOSA-N
XLogP5.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide with MolForge

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Related Compounds

(2S)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 135552240
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42944892
(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 674012
(2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 92742238
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 3650708
N-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
CID 18194225
N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 35039860
N-(2,6-dimethylphenyl)-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 136687757
2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 16896885
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide
CID 16560633
2-[(6-oxo-1,7-dihydropurin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 171692142
N-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
CID 46825569

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of (2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide (CID 1242345) is (2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)[C@H](C)Sc2ncc(-c3ccccc3)[nH]2)c(C)c1.
What is the InChIKey of (2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is UZTUJGDYVMNBDN-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-13-10-14(2)19(15(3)11-13)24-20(25)16(4)26-21-22-12-18(23-21)17-8-6-5-7-9-17/h5-12,16H,1-4H3,(H,22,23)(H,24,25)/t16-/m0/s1.
What are the key properties of (2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide?
(2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 365.50 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 1242345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).