N-methyl-N-phenyl-2-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanamide

C30H28N2O3S — CID 42860280

IUPACN-methyl-N-phenyl-2-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanamide
SMILESCC(Oc1ccc2c(c1)C(c1ccccc1)N(C(=O)c1cccs1)CC2)C(=O)N(C)c1ccccc1
InChIInChI=1S/C30H28N2O3S/c1-21(29(33)31(2)24-12-7-4-8-13-24)35-25-16-15-22-17-18-32(30(34)27-14-9-19-36-27)28(26(22)20-25)23-10-5-3-6-11-23/h3-16,19-21,28H,17-18H2,1-2H3
InChIKeyIDNOCRJQMHSINT-UHFFFAOYSA-N
MW496.63 g/mol
LogP5.97
Rot. Bonds6

About N-methyl-N-phenyl-2-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanamide

N-methyl-N-phenyl-2-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanamide (PubChem CID 42860280) has the molecular formula C30H28N2O3S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanamide
PubChem CID42860280
Molecular FormulaC30H28N2O3S
Molecular Weight496.63 g/mol
Exact Mass496.18
IUPAC NameN-methyl-N-phenyl-2-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanamide
SMILESCC(Oc1ccc2c(c1)C(c1ccccc1)N(C(=O)c1cccs1)CC2)C(=O)N(C)c1ccccc1
InChIInChI=1S/C30H28N2O3S/c1-21(29(33)31(2)24-12-7-4-8-13-24)35-25-16-15-22-17-18-32(30(34)27-14-9-19-36-27)28(26(22)20-25)23-10-5-3-6-11-23/h3-16,19-21,28H,17-18H2,1-2H3
InChIKeyIDNOCRJQMHSINT-UHFFFAOYSA-N
XLogP5.97
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.63
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-phenyl-2-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[(2-fluorophenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-methyl-N-phenylpropanamide
CID 42859686
2-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-ylethanone
CID 46058065
5-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propan-2-ylfuran-2-carboxamide
CID 42860836
[1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-thiophen-2-ylmethanone
CID 110288971
[5-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 42861169
N-ethyl-N-methyl-2-[[2-(2-methylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butanamide
CID 46058051
N-cyclopropyl-5-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]furan-2-carboxamide
CID 42860838
2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-N-propan-2-ylpropanamide
CID 42859794
2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-benzyl-N-methylpropanamide
CID 46058234
(2R)-2-[[(1R)-2-acetyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-benzyl-N-methylbutanamide
CID 93291829
(2S)-N-benzyl-2-[[(1S)-2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-methylpropanamide
CID 93291863
2-methyl-1-[(1S)-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 93335968

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanamide?
The IUPAC name of N-methyl-N-phenyl-2-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanamide (CID 42860280) is N-methyl-N-phenyl-2-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanamide.
What is the SMILES notation for N-methyl-N-phenyl-2-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanamide?
The canonical SMILES for N-methyl-N-phenyl-2-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanamide is CC(Oc1ccc2c(c1)C(c1ccccc1)N(C(=O)c1cccs1)CC2)C(=O)N(C)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanamide?
The InChIKey is IDNOCRJQMHSINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O3S/c1-21(29(33)31(2)24-12-7-4-8-13-24)35-25-16-15-22-17-18-32(30(34)27-14-9-19-36-27)28(26(22)20-25)23-10-5-3-6-11-23/h3-16,19-21,28H,17-18H2,1-2H3.
What are the key properties of N-methyl-N-phenyl-2-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanamide?
N-methyl-N-phenyl-2-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanamide has a molecular weight of 496.63 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-[[1-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanamide is sourced from PubChem (CID 42860280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).