N-[3-(ethoxymethyl)-3-hydroxypentyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide

C25H31N3O5S — CID 146582525

IUPACN-[3-(ethoxymethyl)-3-hydroxypentyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESCCOCC(O)(CC)CCN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C25H31N3O5S/c1-4-25(30,18-33-5-2)15-17-28(3)24(29)20-11-13-21(14-12-20)27-34(31,32)22-10-6-8-19-9-7-16-26-23(19)22/h6-14,16,27,30H,4-5,15,17-18H2,1-3H3
InChIKeyKHIJTWKLEUZHBP-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.68
Rot. Bonds11

About N-[3-(ethoxymethyl)-3-hydroxypentyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide

N-[3-(ethoxymethyl)-3-hydroxypentyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide (PubChem CID 146582525) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[3-(ethoxymethyl)-3-hydroxypentyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[3-(ethoxymethyl)-3-hydroxypentyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide
PubChem CID146582525
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC NameN-[3-(ethoxymethyl)-3-hydroxypentyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESCCOCC(O)(CC)CCN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C25H31N3O5S/c1-4-25(30,18-33-5-2)15-17-28(3)24(29)20-11-13-21(14-12-20)27-34(31,32)22-10-6-8-19-9-7-16-26-23(19)22/h6-14,16,27,30H,4-5,15,17-18H2,1-3H3
InChIKeyKHIJTWKLEUZHBP-UHFFFAOYSA-N
XLogP3.68
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide
CID 170396328
2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate
CID 22204194
N-ethyl-N-[3-hydroxy-3-[3-(trifluoromethoxy)phenyl]butyl]-4-(quinolin-8-ylsulfonylamino)benzamide
CID 123652352
[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate
CID 59635021
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
N-methyl-N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 22775261
N-[4-[4-[[2-(dimethylamino)ethyl-ethylamino]methyl]phenyl]phenyl]quinoline-8-sulfonamide;2,2,2-trifluoroacetic acid
CID 44530292
N-[4-[4-(2-ethylphenyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635273
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
ethyl 3-[4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazin-1-yl]benzoate
CID 59635188
N-[4-[4-[[4-(dimethylamino)phenyl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635159
N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
CID 5045370

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethoxymethyl)-3-hydroxypentyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide?
The IUPAC name of N-[3-(ethoxymethyl)-3-hydroxypentyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide (CID 146582525) is N-[3-(ethoxymethyl)-3-hydroxypentyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[3-(ethoxymethyl)-3-hydroxypentyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide?
The canonical SMILES for N-[3-(ethoxymethyl)-3-hydroxypentyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide is CCOCC(O)(CC)CCN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-[3-(ethoxymethyl)-3-hydroxypentyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide?
The InChIKey is KHIJTWKLEUZHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-4-25(30,18-33-5-2)15-17-28(3)24(29)20-11-13-21(14-12-20)27-34(31,32)22-10-6-8-19-9-7-16-26-23(19)22/h6-14,16,27,30H,4-5,15,17-18H2,1-3H3.
What are the key properties of N-[3-(ethoxymethyl)-3-hydroxypentyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide?
N-[3-(ethoxymethyl)-3-hydroxypentyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide has a molecular weight of 485.61 g/mol, XLogP of 3.68, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethoxymethyl)-3-hydroxypentyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide is sourced from PubChem (CID 146582525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).