2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide

C20H21N3O2S — CID 126808990

IUPAC2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide
SMILESCOc1ccc(SC(C)C(=O)NCc2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C20H21N3O2S/c1-14(26-17-10-8-16(25-2)9-11-17)20(24)22-13-19-21-12-18(23-19)15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMLHMYPWAVSNZAX-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.88
Rot. Bonds7

About 2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide

2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide (PubChem CID 126808990) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide
PubChem CID126808990
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide
SMILESCOc1ccc(SC(C)C(=O)NCc2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C20H21N3O2S/c1-14(26-17-10-8-16(25-2)9-11-17)20(24)22-13-19-21-12-18(23-19)15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMLHMYPWAVSNZAX-UHFFFAOYSA-N
XLogP3.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
(2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 25339836
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 111182238
N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 51546952
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878882
(2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide
CID 94391575
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465
N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119527437
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide (CID 126808990) is 2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide is COc1ccc(SC(C)C(=O)NCc2ncc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide?
The InChIKey is MLHMYPWAVSNZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14(26-17-10-8-16(25-2)9-11-17)20(24)22-13-19-21-12-18(23-19)15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide?
2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide has a molecular weight of 367.47 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 126808990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).