N-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide

C23H25N3O3S — CID 33297739

IUPACN-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide
SMILESCOc1cccc(-n2ccnc2S[C@@H](C)C(=O)c2ccc(CCNC(C)=O)cc2)c1
InChIInChI=1S/C23H25N3O3S/c1-16(22(28)19-9-7-18(8-10-19)11-12-24-17(2)27)30-23-25-13-14-26(23)20-5-4-6-21(15-20)29-3/h4-10,13-16H,11-12H2,1-3H3,(H,24,27)/t16-/m0/s1
InChIKeyCNOUHSRSPQCLHN-INIZCTEOSA-N
MW423.54 g/mol
LogP3.92
Rot. Bonds9

About N-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide

N-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide (PubChem CID 33297739) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide
PubChem CID33297739
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide
SMILESCOc1cccc(-n2ccnc2S[C@@H](C)C(=O)c2ccc(CCNC(C)=O)cc2)c1
InChIInChI=1S/C23H25N3O3S/c1-16(22(28)19-9-7-18(8-10-19)11-12-24-17(2)27)30-23-25-13-14-26(23)20-5-4-6-21(15-20)29-3/h4-10,13-16H,11-12H2,1-3H3,(H,24,27)/t16-/m0/s1
InChIKeyCNOUHSRSPQCLHN-INIZCTEOSA-N
XLogP3.92
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51270186
N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51235651
1-(4-ethylphenyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 18085602
N-(1-adamantyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 55358907
N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55770624
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306584
N-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide
CID 51294386
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide
CID 55883837
N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46677166
N-[2-[4-[2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]phenyl]ethyl]acetamide
CID 46638648
N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 41472985
[(2S)-1-[4-(2-acetamidoethyl)phenyl]-1-oxopropan-2-yl] 3-pyrrol-1-ylbenzoate
CID 9381258

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide (CID 33297739) is N-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide is COc1cccc(-n2ccnc2S[C@@H](C)C(=O)c2ccc(CCNC(C)=O)cc2)c1.
What is the InChIKey of N-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide?
The InChIKey is CNOUHSRSPQCLHN-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-16(22(28)19-9-7-18(8-10-19)11-12-24-17(2)27)30-23-25-13-14-26(23)20-5-4-6-21(15-20)29-3/h4-10,13-16H,11-12H2,1-3H3,(H,24,27)/t16-/m0/s1.
What are the key properties of N-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide?
N-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide has a molecular weight of 423.54 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 33297739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).