N-[3-(2-hydroxyethyl)phenyl]-4-(1,2,3,4-tetrahydroquinolin-2-ylsulfonyl)benzamide

C24H24N2O4S — CID 67136186

IUPACN-[3-(2-hydroxyethyl)phenyl]-4-(1,2,3,4-tetrahydroquinolin-2-ylsulfonyl)benzamide
SMILESO=C(Nc1cccc(CCO)c1)c1ccc(S(=O)(=O)C2CCc3ccccc3N2)cc1
InChIInChI=1S/C24H24N2O4S/c27-15-14-17-4-3-6-20(16-17)25-24(28)19-8-11-21(12-9-19)31(29,30)23-13-10-18-5-1-2-7-22(18)26-23/h1-9,11-12,16,23,26-27H,10,13-15H2,(H,25,28)
InChIKeyIHVPUOROVVXJBT-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.63
Rot. Bonds6

About N-[3-(2-hydroxyethyl)phenyl]-4-(1,2,3,4-tetrahydroquinolin-2-ylsulfonyl)benzamide

N-[3-(2-hydroxyethyl)phenyl]-4-(1,2,3,4-tetrahydroquinolin-2-ylsulfonyl)benzamide (PubChem CID 67136186) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[3-(2-hydroxyethyl)phenyl]-4-(1,2,3,4-tetrahydroquinolin-2-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethyl)phenyl]-4-(1,2,3,4-tetrahydroquinolin-2-ylsulfonyl)benzamide
PubChem CID67136186
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-[3-(2-hydroxyethyl)phenyl]-4-(1,2,3,4-tetrahydroquinolin-2-ylsulfonyl)benzamide
SMILESO=C(Nc1cccc(CCO)c1)c1ccc(S(=O)(=O)C2CCc3ccccc3N2)cc1
InChIInChI=1S/C24H24N2O4S/c27-15-14-17-4-3-6-20(16-17)25-24(28)19-8-11-21(12-9-19)31(29,30)23-13-10-18-5-1-2-7-22(18)26-23/h1-9,11-12,16,23,26-27H,10,13-15H2,(H,25,28)
InChIKeyIHVPUOROVVXJBT-UHFFFAOYSA-N
XLogP3.63
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300374
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4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-methylsulfonylbenzamide
CID 38585176
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2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid
CID 158271581

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethyl)phenyl]-4-(1,2,3,4-tetrahydroquinolin-2-ylsulfonyl)benzamide?
The IUPAC name of N-[3-(2-hydroxyethyl)phenyl]-4-(1,2,3,4-tetrahydroquinolin-2-ylsulfonyl)benzamide (CID 67136186) is N-[3-(2-hydroxyethyl)phenyl]-4-(1,2,3,4-tetrahydroquinolin-2-ylsulfonyl)benzamide.
What is the SMILES notation for N-[3-(2-hydroxyethyl)phenyl]-4-(1,2,3,4-tetrahydroquinolin-2-ylsulfonyl)benzamide?
The canonical SMILES for N-[3-(2-hydroxyethyl)phenyl]-4-(1,2,3,4-tetrahydroquinolin-2-ylsulfonyl)benzamide is O=C(Nc1cccc(CCO)c1)c1ccc(S(=O)(=O)C2CCc3ccccc3N2)cc1.
What is the InChIKey of N-[3-(2-hydroxyethyl)phenyl]-4-(1,2,3,4-tetrahydroquinolin-2-ylsulfonyl)benzamide?
The InChIKey is IHVPUOROVVXJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c27-15-14-17-4-3-6-20(16-17)25-24(28)19-8-11-21(12-9-19)31(29,30)23-13-10-18-5-1-2-7-22(18)26-23/h1-9,11-12,16,23,26-27H,10,13-15H2,(H,25,28).
What are the key properties of N-[3-(2-hydroxyethyl)phenyl]-4-(1,2,3,4-tetrahydroquinolin-2-ylsulfonyl)benzamide?
N-[3-(2-hydroxyethyl)phenyl]-4-(1,2,3,4-tetrahydroquinolin-2-ylsulfonyl)benzamide has a molecular weight of 436.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethyl)phenyl]-4-(1,2,3,4-tetrahydroquinolin-2-ylsulfonyl)benzamide is sourced from PubChem (CID 67136186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).