N-benzyl-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide

C24H24N2O3S — CID 1202317

IUPACN-benzyl-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C24H24N2O3S/c1-30(28,29)26(17-19-7-3-2-4-8-19)23-13-11-21(12-14-23)24(27)25-16-15-20-9-5-6-10-22(20)18-25/h2-14H,15-18H2,1H3
InChIKeyVTDWLDUENZUQNL-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.85
Rot. Bonds5

About N-benzyl-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide

N-benzyl-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide (PubChem CID 1202317) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-benzyl-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide
PubChem CID1202317
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-benzyl-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C24H24N2O3S/c1-30(28,29)26(17-19-7-3-2-4-8-19)23-13-11-21(12-14-23)24(27)25-16-15-20-9-5-6-10-22(20)18-25/h2-14H,15-18H2,1H3
InChIKeyVTDWLDUENZUQNL-UHFFFAOYSA-N
XLogP3.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-benzyl-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide (CID 1202317) is N-benzyl-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCc3ccccc3C2)cc1.
What is the InChIKey of N-benzyl-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide?
The InChIKey is VTDWLDUENZUQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-30(28,29)26(17-19-7-3-2-4-8-19)23-13-11-21(12-14-23)24(27)25-16-15-20-9-5-6-10-22(20)18-25/h2-14H,15-18H2,1H3.
What are the key properties of N-benzyl-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide?
N-benzyl-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide has a molecular weight of 420.53 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 1202317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).