N-ethyl-3-methoxy-N-[2-[methyl-(2-methyl-2-phenylpropyl)amino]ethyl]-4-(quinolin-8-ylsulfonylamino)benzamide

C32H38N4O4S — CID 134404583

IUPACN-ethyl-3-methoxy-N-[2-[methyl-(2-methyl-2-phenylpropyl)amino]ethyl]-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESCCN(CCN(C)CC(C)(C)c1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(OC)c1
InChIInChI=1S/C32H38N4O4S/c1-6-36(21-20-35(4)23-32(2,3)26-14-8-7-9-15-26)31(37)25-17-18-27(28(22-25)40-5)34-41(38,39)29-16-10-12-24-13-11-19-33-30(24)29/h7-19,22,34H,6,20-21,23H2,1-5H3
InChIKeyHLBCUGFHVLRZQO-UHFFFAOYSA-N
MW574.75 g/mol
LogP5.42
Rot. Bonds12

About N-ethyl-3-methoxy-N-[2-[methyl-(2-methyl-2-phenylpropyl)amino]ethyl]-4-(quinolin-8-ylsulfonylamino)benzamide

N-ethyl-3-methoxy-N-[2-[methyl-(2-methyl-2-phenylpropyl)amino]ethyl]-4-(quinolin-8-ylsulfonylamino)benzamide (PubChem CID 134404583) has the molecular formula C32H38N4O4S and a molecular weight of 574.75 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N-[2-[methyl-(2-methyl-2-phenylpropyl)amino]ethyl]-4-(quinolin-8-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N-[2-[methyl-(2-methyl-2-phenylpropyl)amino]ethyl]-4-(quinolin-8-ylsulfonylamino)benzamide
PubChem CID134404583
Molecular FormulaC32H38N4O4S
Molecular Weight574.75 g/mol
Exact Mass574.26
IUPAC NameN-ethyl-3-methoxy-N-[2-[methyl-(2-methyl-2-phenylpropyl)amino]ethyl]-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESCCN(CCN(C)CC(C)(C)c1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(OC)c1
InChIInChI=1S/C32H38N4O4S/c1-6-36(21-20-35(4)23-32(2,3)26-14-8-7-9-15-26)31(37)25-17-18-27(28(22-25)40-5)34-41(38,39)29-16-10-12-24-13-11-19-33-30(24)29/h7-19,22,34H,6,20-21,23H2,1-5H3
InChIKeyHLBCUGFHVLRZQO-UHFFFAOYSA-N
XLogP5.42
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.75
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methoxy-4-[4-(2-phenylpropyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 67505028
N-ethyl-N-[3-hydroxy-3-[3-(trifluoromethoxy)phenyl]butyl]-4-(quinolin-8-ylsulfonylamino)benzamide
CID 123652352
4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid
CID 24502180
N-[2-methoxy-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634765
N-[4-[4-[(3,5-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 67504938
2-(2-cyclopentylethyl)-4-[3-methoxy-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylic acid
CID 155095353
N-[4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 67505105
N-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide
CID 170396328
N-[4-[4-[(2,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 67504817
N-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 59635197
N-(2,3-dimethoxyphenyl)quinoline-8-sulfonamide
CID 3866922
dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate
CID 4198827

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-N-[2-[methyl-(2-methyl-2-phenylpropyl)amino]ethyl]-4-(quinolin-8-ylsulfonylamino)benzamide?
The IUPAC name of N-ethyl-3-methoxy-N-[2-[methyl-(2-methyl-2-phenylpropyl)amino]ethyl]-4-(quinolin-8-ylsulfonylamino)benzamide (CID 134404583) is N-ethyl-3-methoxy-N-[2-[methyl-(2-methyl-2-phenylpropyl)amino]ethyl]-4-(quinolin-8-ylsulfonylamino)benzamide.
What is the SMILES notation for N-ethyl-3-methoxy-N-[2-[methyl-(2-methyl-2-phenylpropyl)amino]ethyl]-4-(quinolin-8-ylsulfonylamino)benzamide?
The canonical SMILES for N-ethyl-3-methoxy-N-[2-[methyl-(2-methyl-2-phenylpropyl)amino]ethyl]-4-(quinolin-8-ylsulfonylamino)benzamide is CCN(CCN(C)CC(C)(C)c1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(OC)c1.
What is the InChIKey of N-ethyl-3-methoxy-N-[2-[methyl-(2-methyl-2-phenylpropyl)amino]ethyl]-4-(quinolin-8-ylsulfonylamino)benzamide?
The InChIKey is HLBCUGFHVLRZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O4S/c1-6-36(21-20-35(4)23-32(2,3)26-14-8-7-9-15-26)31(37)25-17-18-27(28(22-25)40-5)34-41(38,39)29-16-10-12-24-13-11-19-33-30(24)29/h7-19,22,34H,6,20-21,23H2,1-5H3.
What are the key properties of N-ethyl-3-methoxy-N-[2-[methyl-(2-methyl-2-phenylpropyl)amino]ethyl]-4-(quinolin-8-ylsulfonylamino)benzamide?
N-ethyl-3-methoxy-N-[2-[methyl-(2-methyl-2-phenylpropyl)amino]ethyl]-4-(quinolin-8-ylsulfonylamino)benzamide has a molecular weight of 574.75 g/mol, XLogP of 5.42, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-N-[2-[methyl-(2-methyl-2-phenylpropyl)amino]ethyl]-4-(quinolin-8-ylsulfonylamino)benzamide is sourced from PubChem (CID 134404583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).