N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]cyclopropanecarboxamide

C17H24N2O5S — CID 16827031

IUPACN-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]cyclopropanecarboxamide
SMILESCOc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)C1CC1)CC2
InChIInChI=1S/C17H24N2O5S/c1-23-15-9-13-5-7-19(11-14(13)10-16(15)24-2)25(21,22)8-6-18-17(20)12-3-4-12/h9-10,12H,3-8,11H2,1-2H3,(H,18,20)
InChIKeyBOHKWBSHVDBLQL-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.92
Rot. Bonds7

About N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]cyclopropanecarboxamide

N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]cyclopropanecarboxamide (PubChem CID 16827031) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]cyclopropanecarboxamide
PubChem CID16827031
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC NameN-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]cyclopropanecarboxamide
SMILESCOc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)C1CC1)CC2
InChIInChI=1S/C17H24N2O5S/c1-23-15-9-13-5-7-19(11-14(13)10-16(15)24-2)25(21,22)8-6-18-17(20)12-3-4-12/h9-10,12H,3-8,11H2,1-2H3,(H,18,20)
InChIKeyBOHKWBSHVDBLQL-UHFFFAOYSA-N
XLogP0.92
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methoxyacetamide
CID 16827039
N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-9H-xanthene-9-carboxamide
CID 16827094
N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-4-(dimethylsulfamoyl)benzamide
CID 16827091
N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-3-phenylprop-2-enamide
CID 71962180
2-(chloromethylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 55246587
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16809519
(3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41234149
N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide
CID 110345998
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3-methoxybenzamide
CID 7601105
methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate
CID 7618747
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 16826988
N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]acetamide
CID 2037282

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]cyclopropanecarboxamide (CID 16827031) is N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]cyclopropanecarboxamide is COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)C1CC1)CC2.
What is the InChIKey of N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]cyclopropanecarboxamide?
The InChIKey is BOHKWBSHVDBLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-23-15-9-13-5-7-19(11-14(13)10-16(15)24-2)25(21,22)8-6-18-17(20)12-3-4-12/h9-10,12H,3-8,11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]cyclopropanecarboxamide?
N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]cyclopropanecarboxamide has a molecular weight of 368.46 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 16827031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).