2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide

C20H25N3O3S — CID 142040428

IUPAC2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CNCC3)c1
InChIInChI=1S/C20H25N3O3S/c1-20(2,3)19(24)22-16-5-4-6-17(12-16)23-27(25,26)18-8-7-14-9-10-21-13-15(14)11-18/h4-8,11-12,21,23H,9-10,13H2,1-3H3,(H,22,24)
InChIKeyDZKYIEHOXYCGMY-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.12
Rot. Bonds4

About 2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide

2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide (PubChem CID 142040428) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide
PubChem CID142040428
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CNCC3)c1
InChIInChI=1S/C20H25N3O3S/c1-20(2,3)19(24)22-16-5-4-6-17(12-16)23-27(25,26)18-8-7-14-9-10-21-13-15(14)11-18/h4-8,11-12,21,23H,9-10,13H2,1-3H3,(H,22,24)
InChIKeyDZKYIEHOXYCGMY-UHFFFAOYSA-N
XLogP3.12
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 1026291
N-[3-[(2-ethyl-1,3-dihydroisoindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 18343259
N-[3-[(1-ethyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 18343254
N-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 55538744
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606933
N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606923
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 12606928
N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606927
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606929
N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606935
N-[3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]cyclopropanecarboxamide
CID 35541261

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide (CID 142040428) is 2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide is CC(C)(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CNCC3)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide?
The InChIKey is DZKYIEHOXYCGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-20(2,3)19(24)22-16-5-4-6-17(12-16)23-27(25,26)18-8-7-14-9-10-21-13-15(14)11-18/h4-8,11-12,21,23H,9-10,13H2,1-3H3,(H,22,24).
What are the key properties of 2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide?
2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide has a molecular weight of 387.51 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide is sourced from PubChem (CID 142040428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).