N-[(7S,8S)-8-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-7-yl]methanesulfonamide

C23H24N2O2S — CID 150648249

IUPACN-[(7S,8S)-8-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-7-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCc2cccnc2[C@H]1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H24N2O2S/c1-28(26,27)25-22-13-12-19-11-6-14-24-23(19)21(22)16-17-7-5-10-20(15-17)18-8-3-2-4-9-18/h2-11,14-15,21-22,25H,12-13,16H2,1H3/t21-,22-/m0/s1
InChIKeyJBIHAVASYJCBCM-VXKWHMMOSA-N
MW392.52 g/mol
LogP3.94
Rot. Bonds5

About N-[(7S,8S)-8-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-7-yl]methanesulfonamide

N-[(7S,8S)-8-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-7-yl]methanesulfonamide (PubChem CID 150648249) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[(7S,8S)-8-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(7S,8S)-8-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-7-yl]methanesulfonamide
PubChem CID150648249
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-[(7S,8S)-8-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-7-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCc2cccnc2[C@H]1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H24N2O2S/c1-28(26,27)25-22-13-12-19-11-6-14-24-23(19)21(22)16-17-7-5-10-20(15-17)18-8-3-2-4-9-18/h2-11,14-15,21-22,25H,12-13,16H2,1H3/t21-,22-/m0/s1
InChIKeyJBIHAVASYJCBCM-VXKWHMMOSA-N
XLogP3.94
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5R,6S)-2,3-dimethyl-4-oxo-5-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanesulfonamide
CID 166790053
N-[2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 137461974
N-[(6S,7S)-3-methyl-4-oxo-6-[(3-phenylphenyl)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-7-yl]methanesulfonamide
CID 162346106
N-[(5S,6S)-2-ethyl-3-oxo-5-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanesulfonamide
CID 162346056
3-(methanesulfonamido)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]piperidine-1-carboxamide
CID 137461539
N-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide
CID 137461172
1-fluoro-N-[(5R,6S)-4-oxo-5-[(3-phenylphenyl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl]cyclopropane-1-sulfonamide
CID 162346096
N-[(2S,3S)-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137461767
N-[2-ethyl-8-[[3-(1-methyl-2-oxo-3-pyridinyl)phenyl]methyl]-1-oxo-5,6,7,8-tetrahydroisoquinolin-7-yl]methanesulfonamide
CID 166798651
N-[(5R,6S)-5-[[3-(3,5-difluorophenyl)phenyl]methyl]-2,3-dimethyl-4-oxo-5,6,7,8-tetrahydroquinazolin-6-yl]methanesulfonamide
CID 167342977
N-[1-(2-methylbutanoyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137461609
tert-butyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 137461347

Frequently Asked Questions

What is the IUPAC name of N-[(7S,8S)-8-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-7-yl]methanesulfonamide?
The IUPAC name of N-[(7S,8S)-8-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-7-yl]methanesulfonamide (CID 150648249) is N-[(7S,8S)-8-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-7-yl]methanesulfonamide.
What is the SMILES notation for N-[(7S,8S)-8-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-7-yl]methanesulfonamide?
The canonical SMILES for N-[(7S,8S)-8-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-7-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCc2cccnc2[C@H]1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[(7S,8S)-8-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-7-yl]methanesulfonamide?
The InChIKey is JBIHAVASYJCBCM-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-28(26,27)25-22-13-12-19-11-6-14-24-23(19)21(22)16-17-7-5-10-20(15-17)18-8-3-2-4-9-18/h2-11,14-15,21-22,25H,12-13,16H2,1H3/t21-,22-/m0/s1.
What are the key properties of N-[(7S,8S)-8-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-7-yl]methanesulfonamide?
N-[(7S,8S)-8-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-7-yl]methanesulfonamide has a molecular weight of 392.52 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S,8S)-8-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-7-yl]methanesulfonamide is sourced from PubChem (CID 150648249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).