N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide

C28H28N4O4S — CID 122510074

IUPACN-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide
SMILESCCN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1C)c1ccc2ncccc2c1
InChIInChI=1S/C28H28N4O4S/c1-3-32(23-15-16-24-22(19-23)13-9-17-29-24)27(33)25(18-21-11-5-4-6-12-21)30-28(34)31-37(35,36)26-14-8-7-10-20(26)2/h4-17,19,25H,3,18H2,1-2H3,(H2,30,31,34)
InChIKeyBCSJIVCKBHBDCO-UHFFFAOYSA-N
MW516.62 g/mol
LogP4.20
Rot. Bonds8

About N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide

N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide (PubChem CID 122510074) has the molecular formula C28H28N4O4S and a molecular weight of 516.62 g/mol. Its IUPAC name is N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide
PubChem CID122510074
Molecular FormulaC28H28N4O4S
Molecular Weight516.62 g/mol
Exact Mass516.18
IUPAC NameN-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide
SMILESCCN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1C)c1ccc2ncccc2c1
InChIInChI=1S/C28H28N4O4S/c1-3-32(23-15-16-24-22(19-23)13-9-17-29-24)27(33)25(18-21-11-5-4-6-12-21)30-28(34)31-37(35,36)26-14-8-7-10-20(26)2/h4-17,19,25H,3,18H2,1-2H3,(H2,30,31,34)
InChIKeyBCSJIVCKBHBDCO-UHFFFAOYSA-N
XLogP4.20
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.62
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide
CID 118037736
N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinoxalin-6-ylpropanamide
CID 118038545
(2S)-2-[(5-bromo-2-methylphenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 118037597
(2S)-N-(4-methoxyphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 118037856
N-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide
CID 122510050
(2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118038110
2-[(2-aminophenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 118037900
N-(4-methoxyphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 118038144
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118039001
N-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 135264896
N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 20950537
(2S)-N-(1H-benzimidazol-4-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118039223

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide?
The IUPAC name of N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide (CID 122510074) is N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide.
What is the SMILES notation for N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide?
The canonical SMILES for N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide is CCN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1C)c1ccc2ncccc2c1.
What is the InChIKey of N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide?
The InChIKey is BCSJIVCKBHBDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4S/c1-3-32(23-15-16-24-22(19-23)13-9-17-29-24)27(33)25(18-21-11-5-4-6-12-21)30-28(34)31-37(35,36)26-14-8-7-10-20(26)2/h4-17,19,25H,3,18H2,1-2H3,(H2,30,31,34).
What are the key properties of N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide?
N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide has a molecular weight of 516.62 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide is sourced from PubChem (CID 122510074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).