N-[(2-methoxyphenyl)methyl]-N-methyl-4-quinolin-2-ylsulfanylbutanamide

C22H24N2O2S — CID 46234651

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-4-quinolin-2-ylsulfanylbutanamide
SMILESCOc1ccccc1CN(C)C(=O)CCCSc1ccc2ccccc2n1
InChIInChI=1S/C22H24N2O2S/c1-24(16-18-9-4-6-11-20(18)26-2)22(25)12-7-15-27-21-14-13-17-8-3-5-10-19(17)23-21/h3-6,8-11,13-14H,7,12,15-16H2,1-2H3
InChIKeyBFXRTSZYLJMBRZ-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.77
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-N-methyl-4-quinolin-2-ylsulfanylbutanamide

N-[(2-methoxyphenyl)methyl]-N-methyl-4-quinolin-2-ylsulfanylbutanamide (PubChem CID 46234651) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-4-quinolin-2-ylsulfanylbutanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-4-quinolin-2-ylsulfanylbutanamide
PubChem CID46234651
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-4-quinolin-2-ylsulfanylbutanamide
SMILESCOc1ccccc1CN(C)C(=O)CCCSc1ccc2ccccc2n1
InChIInChI=1S/C22H24N2O2S/c1-24(16-18-9-4-6-11-20(18)26-2)22(25)12-7-15-27-21-14-13-17-8-3-5-10-19(17)23-21/h3-6,8-11,13-14H,7,12,15-16H2,1-2H3
InChIKeyBFXRTSZYLJMBRZ-UHFFFAOYSA-N
XLogP4.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]sulfanyl-N-methylbenzamide
CID 66679101
N-[(2-methoxyphenyl)methyl]-N-methyl-3-phenylsulfanylpropanamide
CID 46778454
4-[4-(methanesulfonamido)phenyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide
CID 46234494
2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 51099203
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
N-[(2-hydroxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide
CID 46234490
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94685610
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 43909023
3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911597
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-4-quinolin-2-ylsulfanylbutanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-4-quinolin-2-ylsulfanylbutanamide (CID 46234651) is N-[(2-methoxyphenyl)methyl]-N-methyl-4-quinolin-2-ylsulfanylbutanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-4-quinolin-2-ylsulfanylbutanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-4-quinolin-2-ylsulfanylbutanamide is COc1ccccc1CN(C)C(=O)CCCSc1ccc2ccccc2n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-4-quinolin-2-ylsulfanylbutanamide?
The InChIKey is BFXRTSZYLJMBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-24(16-18-9-4-6-11-20(18)26-2)22(25)12-7-15-27-21-14-13-17-8-3-5-10-19(17)23-21/h3-6,8-11,13-14H,7,12,15-16H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-4-quinolin-2-ylsulfanylbutanamide?
N-[(2-methoxyphenyl)methyl]-N-methyl-4-quinolin-2-ylsulfanylbutanamide has a molecular weight of 380.51 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-4-quinolin-2-ylsulfanylbutanamide is sourced from PubChem (CID 46234651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).