4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)benzamide

C27H29N3O3S — CID 167857062

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(N2CCc3ccccc3C2)cc1
InChIInChI=1S/C27H29N3O3S/c31-27(28-25-10-4-5-11-26(25)34(32,33)30-17-6-1-7-18-30)22-12-14-24(15-13-22)29-19-16-21-8-2-3-9-23(21)20-29/h2-5,8-15H,1,6-7,16-20H2,(H,28,31)
InChIKeyUTPUUZIDOJQABY-UHFFFAOYSA-N
MW475.61 g/mol
LogP4.68
Rot. Bonds5

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)benzamide

4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 167857062) has the molecular formula C27H29N3O3S and a molecular weight of 475.61 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID167857062
Molecular FormulaC27H29N3O3S
Molecular Weight475.61 g/mol
Exact Mass475.19
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(N2CCc3ccccc3C2)cc1
InChIInChI=1S/C27H29N3O3S/c31-27(28-25-10-4-5-11-26(25)34(32,33)30-17-6-1-7-18-30)22-12-14-24(15-13-22)29-19-16-21-8-2-3-9-23(21)20-29/h2-5,8-15H,1,6-7,16-20H2,(H,28,31)
InChIKeyUTPUUZIDOJQABY-UHFFFAOYSA-N
XLogP4.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 60549411
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 75405981
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 60549546
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817562
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 92679944
N-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
CID 109047922
4-[(1-methylimidazol-2-yl)methoxy]-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55920467

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)benzamide (CID 167857062) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(N2CCc3ccccc3C2)cc1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is UTPUUZIDOJQABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3S/c31-27(28-25-10-4-5-11-26(25)34(32,33)30-17-6-1-7-18-30)22-12-14-24(15-13-22)29-19-16-21-8-2-3-9-23(21)20-29/h2-5,8-15H,1,6-7,16-20H2,(H,28,31).
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 475.61 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 167857062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).