1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-thiophen-2-ylurea

C20H21N3OS2 — CID 30606557

IUPAC1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-thiophen-2-ylurea
SMILESO=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)Nc1cccs1
InChIInChI=1S/C20H21N3OS2/c24-20(22-19-6-3-10-26-19)21-12-18(17-8-11-25-14-17)23-9-7-15-4-1-2-5-16(15)13-23/h1-6,8,10-11,14,18H,7,9,12-13H2,(H2,21,22,24)/t18-/m0/s1
InChIKeyGIWCEAPHBJUTHM-SFHVURJKSA-N
MW383.54 g/mol
LogP4.73
Rot. Bonds5

About 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-thiophen-2-ylurea

1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-thiophen-2-ylurea (PubChem CID 30606557) has the molecular formula C20H21N3OS2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-thiophen-2-ylurea
PubChem CID30606557
Molecular FormulaC20H21N3OS2
Molecular Weight383.54 g/mol
Exact Mass383.11
IUPAC Name1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-thiophen-2-ylurea
SMILESO=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)Nc1cccs1
InChIInChI=1S/C20H21N3OS2/c24-20(22-19-6-3-10-26-19)21-12-18(17-8-11-25-14-17)23-9-7-15-4-1-2-5-16(15)13-23/h1-6,8,10-11,14,18H,7,9,12-13H2,(H2,21,22,24)/t18-/m0/s1
InChIKeyGIWCEAPHBJUTHM-SFHVURJKSA-N
XLogP4.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-thiophen-2-ylurea 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

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-N'-pyridin-4-yloxamide
CID 16932667
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
CID 30605288
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide
CID 51641527
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2-naphthalen-1-ylacetamide
CID 30605351
1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-3-phenylurea
CID 7525915
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-N'-(3-fluoro-4-methylphenyl)oxamide
CID 16932663
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 16932665
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-4-propan-2-yloxybenzamide
CID 16931929
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 30605386
2-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-4-fluorobenzamide
CID 16931947
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 16931923
N'-(5-chloro-2-methylphenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]oxamide
CID 16932703

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-thiophen-2-ylurea (CID 30606557) is 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-thiophen-2-ylurea is O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)Nc1cccs1.
What is the InChIKey of 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-thiophen-2-ylurea?
The InChIKey is GIWCEAPHBJUTHM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N3OS2/c24-20(22-19-6-3-10-26-19)21-12-18(17-8-11-25-14-17)23-9-7-15-4-1-2-5-16(15)13-23/h1-6,8,10-11,14,18H,7,9,12-13H2,(H2,21,22,24)/t18-/m0/s1.
What are the key properties of 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-thiophen-2-ylurea?
1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-thiophen-2-ylurea has a molecular weight of 383.54 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 30606557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).