N-[[2-(dimethylamino)quinolin-6-yl]methyl]-5-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methyl-4-oxopentanamide

C28H36N4O5S — CID 58115997

IUPACN-[[2-(dimethylamino)quinolin-6-yl]methyl]-5-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methyl-4-oxopentanamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CC(=O)CCC(=O)N(C)Cc2ccc3nc(N(C)C)ccc3c2)c(C)c1
InChIInChI=1S/C28H36N4O5S/c1-19-14-24(37-7)15-20(2)28(19)38(35,36)32(6)18-23(33)10-13-27(34)31(5)17-21-8-11-25-22(16-21)9-12-26(29-25)30(3)4/h8-9,11-12,14-16H,10,13,17-18H2,1-7H3
InChIKeyVQVZGIXVYJVQDO-UHFFFAOYSA-N
MW540.69 g/mol
LogP3.55
Rot. Bonds11

About N-[[2-(dimethylamino)quinolin-6-yl]methyl]-5-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methyl-4-oxopentanamide

N-[[2-(dimethylamino)quinolin-6-yl]methyl]-5-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methyl-4-oxopentanamide (PubChem CID 58115997) has the molecular formula C28H36N4O5S and a molecular weight of 540.69 g/mol. Its IUPAC name is N-[[2-(dimethylamino)quinolin-6-yl]methyl]-5-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methyl-4-oxopentanamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)quinolin-6-yl]methyl]-5-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methyl-4-oxopentanamide
PubChem CID58115997
Molecular FormulaC28H36N4O5S
Molecular Weight540.69 g/mol
Exact Mass540.24
IUPAC NameN-[[2-(dimethylamino)quinolin-6-yl]methyl]-5-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methyl-4-oxopentanamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CC(=O)CCC(=O)N(C)Cc2ccc3nc(N(C)C)ccc3c2)c(C)c1
InChIInChI=1S/C28H36N4O5S/c1-19-14-24(37-7)15-20(2)28(19)38(35,36)32(6)18-23(33)10-13-27(34)31(5)17-21-8-11-25-22(16-21)9-12-26(29-25)30(3)4/h8-9,11-12,14-16H,10,13,17-18H2,1-7H3
InChIKeyVQVZGIXVYJVQDO-UHFFFAOYSA-N
XLogP3.55
TPSA100.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.69
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-[2-(dimethylamino)ethyl]phenyl]methyl]-5-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methyl-4-oxopentanamide
CID 58116260
N-[[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]methyl]-5-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methyl-4-oxopentanamide
CID 58116355
2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(2-propyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 59597572
N-[4-(4-aminophenyl)-3-oxobutyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide
CID 58116192
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 18116994
N-[[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]methyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide
CID 59597755
N-[[6-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]methyl]-2-[[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]acetyl]amino]-N-methylacetamide
CID 59598100
N-[[4-[2-(dimethylamino)ethyl-methylamino]phenyl]methyl]-2-[[1-hydroxy-2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethyl]amino]-N-methylacetamide
CID 143631994
N-[5-[3-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-3-oxopentyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide
CID 58529251
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100795274
N-[[4-[4-(dimethylamino)piperidin-1-yl]phenyl]methyl]-2-[[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]acetyl]amino]-N-methylacetamide
CID 59597502

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)quinolin-6-yl]methyl]-5-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methyl-4-oxopentanamide?
The IUPAC name of N-[[2-(dimethylamino)quinolin-6-yl]methyl]-5-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methyl-4-oxopentanamide (CID 58115997) is N-[[2-(dimethylamino)quinolin-6-yl]methyl]-5-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methyl-4-oxopentanamide.
What is the SMILES notation for N-[[2-(dimethylamino)quinolin-6-yl]methyl]-5-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methyl-4-oxopentanamide?
The canonical SMILES for N-[[2-(dimethylamino)quinolin-6-yl]methyl]-5-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methyl-4-oxopentanamide is COc1cc(C)c(S(=O)(=O)N(C)CC(=O)CCC(=O)N(C)Cc2ccc3nc(N(C)C)ccc3c2)c(C)c1.
What is the InChIKey of N-[[2-(dimethylamino)quinolin-6-yl]methyl]-5-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methyl-4-oxopentanamide?
The InChIKey is VQVZGIXVYJVQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O5S/c1-19-14-24(37-7)15-20(2)28(19)38(35,36)32(6)18-23(33)10-13-27(34)31(5)17-21-8-11-25-22(16-21)9-12-26(29-25)30(3)4/h8-9,11-12,14-16H,10,13,17-18H2,1-7H3.
What are the key properties of N-[[2-(dimethylamino)quinolin-6-yl]methyl]-5-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methyl-4-oxopentanamide?
N-[[2-(dimethylamino)quinolin-6-yl]methyl]-5-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methyl-4-oxopentanamide has a molecular weight of 540.69 g/mol, XLogP of 3.55, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)quinolin-6-yl]methyl]-5-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methyl-4-oxopentanamide is sourced from PubChem (CID 58115997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).