N-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide

C19H28N2O4S — CID 70775255

IUPACN-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CN(C(=O)[C@@H](C)O)CC2
InChIInChI=1S/C19H28N2O4S/c1-3-9-21(12-15-4-5-15)26(24,25)18-7-6-16-8-10-20(13-17(16)11-18)19(23)14(2)22/h6-7,11,14-15,22H,3-5,8-10,12-13H2,1-2H3/t14-/m1/s1
InChIKeyCINRXSQHWUVEMT-CQSZACIVSA-N
MW380.51 g/mol
LogP1.76
Rot. Bonds7

About N-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide

N-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide (PubChem CID 70775255) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
PubChem CID70775255
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CN(C(=O)[C@@H](C)O)CC2
InChIInChI=1S/C19H28N2O4S/c1-3-9-21(12-15-4-5-15)26(24,25)18-7-6-16-8-10-20(13-17(16)11-18)19(23)14(2)22/h6-7,11,14-15,22H,3-5,8-10,12-13H2,1-2H3/t14-/m1/s1
InChIKeyCINRXSQHWUVEMT-CQSZACIVSA-N
XLogP1.76
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide with MolForge

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Related Compounds

2-[(2R)-2-aminopropanoyl]-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-1H-isoquinoline-6-sulfonamide
CID 70749130
N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide
CID 55353366
N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
CID 23996210
N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide
CID 3449691
N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide
CID 146213720
3-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 115328827
N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide
CID 61444156
4-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 61440025
2-[cyclopropylmethyl(2,3-dihydro-1H-inden-5-ylsulfonyl)amino]acetic acid
CID 43656196
2-(cyclopropanecarbonyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110644359
N-butan-2-yl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110632531
N-ethyl-N-[3-(4-fluorophenyl)oxetan-3-yl]-2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 168898221

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide (CID 70775255) is N-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide is CCCN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CN(C(=O)[C@@H](C)O)CC2.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The InChIKey is CINRXSQHWUVEMT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-3-9-21(12-15-4-5-15)26(24,25)18-7-6-16-8-10-20(13-17(16)11-18)19(23)14(2)22/h6-7,11,14-15,22H,3-5,8-10,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
N-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide has a molecular weight of 380.51 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(2R)-2-hydroxypropanoyl]-N-propyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide is sourced from PubChem (CID 70775255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).