N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide

C22H20N4OS — CID 40795360

IUPACN-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide
SMILESCn1ccnc1[C@@H](NC(=O)CSc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C22H20N4OS/c1-26-14-13-23-22(26)21(17-8-3-2-4-9-17)25-19(27)15-28-20-12-11-16-7-5-6-10-18(16)24-20/h2-14,21H,15H2,1H3,(H,25,27)/t21-/m0/s1
InChIKeyIVPNDWOFRCRKDT-NRFANRHFSA-N
MW388.50 g/mol
LogP3.97
Rot. Bonds6

About N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide

N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide (PubChem CID 40795360) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide
PubChem CID40795360
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC NameN-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide
SMILESCn1ccnc1[C@@H](NC(=O)CSc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C22H20N4OS/c1-26-14-13-23-22(26)21(17-8-3-2-4-9-17)25-19(27)15-28-20-12-11-16-7-5-6-10-18(16)24-20/h2-14,21H,15H2,1H3,(H,25,27)/t21-/m0/s1
InChIKeyIVPNDWOFRCRKDT-NRFANRHFSA-N
XLogP3.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 25345762
methyl (2S)-2-phenyl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]acetate
CID 7306493
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 43038015
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-naphthalen-1-yloxyacetamide
CID 17446536
2-(2-ethylbenzimidazol-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 31357913
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
2-(2-fluorophenoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25367645
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
2-benzylsulfanyl-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25338698

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide (CID 40795360) is N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide is Cn1ccnc1[C@@H](NC(=O)CSc1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is IVPNDWOFRCRKDT-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-26-14-13-23-22(26)21(17-8-3-2-4-9-17)25-19(27)15-28-20-12-11-16-7-5-6-10-18(16)24-20/h2-14,21H,15H2,1H3,(H,25,27)/t21-/m0/s1.
What are the key properties of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide?
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 388.50 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 40795360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).