2-(2-methylphenyl)ethyl N-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetyl]amino]carbamate

C19H20N4O3S2 — CID 6733071

IUPAC2-(2-methylphenyl)ethyl N-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetyl]amino]carbamate
SMILESCc1ccccc1CCOC(=O)NNC(=O)CSc1ncnc2c(C)csc12
InChIInChI=1S/C19H20N4O3S2/c1-12-5-3-4-6-14(12)7-8-26-19(25)23-22-15(24)10-28-18-17-16(20-11-21-18)13(2)9-27-17/h3-6,9,11H,7-8,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNAXFXUMMSNLFGY-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.40
Rot. Bonds6

About 2-(2-methylphenyl)ethyl N-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetyl]amino]carbamate

2-(2-methylphenyl)ethyl N-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetyl]amino]carbamate (PubChem CID 6733071) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-(2-methylphenyl)ethyl N-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetyl]amino]carbamate.

Molecular Properties

Compound Name2-(2-methylphenyl)ethyl N-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetyl]amino]carbamate
PubChem CID6733071
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC Name2-(2-methylphenyl)ethyl N-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetyl]amino]carbamate
SMILESCc1ccccc1CCOC(=O)NNC(=O)CSc1ncnc2c(C)csc12
InChIInChI=1S/C19H20N4O3S2/c1-12-5-3-4-6-14(12)7-8-26-19(25)23-22-15(24)10-28-18-17-16(20-11-21-18)13(2)9-27-17/h3-6,9,11H,7-8,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNAXFXUMMSNLFGY-UHFFFAOYSA-N
XLogP3.40
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-methylphenyl)ethyl N-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetyl]amino]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)ethyl N-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetyl]amino]carbamate?
The IUPAC name of 2-(2-methylphenyl)ethyl N-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetyl]amino]carbamate (CID 6733071) is 2-(2-methylphenyl)ethyl N-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetyl]amino]carbamate.
What is the SMILES notation for 2-(2-methylphenyl)ethyl N-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetyl]amino]carbamate?
The canonical SMILES for 2-(2-methylphenyl)ethyl N-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetyl]amino]carbamate is Cc1ccccc1CCOC(=O)NNC(=O)CSc1ncnc2c(C)csc12.
What is the InChIKey of 2-(2-methylphenyl)ethyl N-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetyl]amino]carbamate?
The InChIKey is NAXFXUMMSNLFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-12-5-3-4-6-14(12)7-8-26-19(25)23-22-15(24)10-28-18-17-16(20-11-21-18)13(2)9-27-17/h3-6,9,11H,7-8,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-(2-methylphenyl)ethyl N-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetyl]amino]carbamate?
2-(2-methylphenyl)ethyl N-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetyl]amino]carbamate has a molecular weight of 416.53 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)ethyl N-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetyl]amino]carbamate is sourced from PubChem (CID 6733071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).