N-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide

C20H21N3O3S3 — CID 24579388

IUPACN-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)CSc2nc(C3CC3)nc3ccccc23)s1
InChIInChI=1S/C20H21N3O3S3/c1-29(25,26)21-11-10-14-8-9-18(28-14)17(24)12-27-20-15-4-2-3-5-16(15)22-19(23-20)13-6-7-13/h2-5,8-9,13,21H,6-7,10-12H2,1H3
InChIKeyJSWTWURBLQHWNR-UHFFFAOYSA-N
MW447.61 g/mol
LogP3.64
Rot. Bonds9

About N-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide

N-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide (PubChem CID 24579388) has the molecular formula C20H21N3O3S3 and a molecular weight of 447.61 g/mol. Its IUPAC name is N-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
PubChem CID24579388
Molecular FormulaC20H21N3O3S3
Molecular Weight447.61 g/mol
Exact Mass447.07
IUPAC NameN-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)CSc2nc(C3CC3)nc3ccccc23)s1
InChIInChI=1S/C20H21N3O3S3/c1-29(25,26)21-11-10-14-8-9-18(28-14)17(24)12-27-20-15-4-2-3-5-16(15)22-19(23-20)13-6-7-13/h2-5,8-9,13,21H,6-7,10-12H2,1H3
InChIKeyJSWTWURBLQHWNR-UHFFFAOYSA-N
XLogP3.64
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.61
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide 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 N-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide (CID 24579388) is N-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCc1ccc(C(=O)CSc2nc(C3CC3)nc3ccccc23)s1.
What is the InChIKey of N-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide?
The InChIKey is JSWTWURBLQHWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S3/c1-29(25,26)21-11-10-14-8-9-18(28-14)17(24)12-27-20-15-4-2-3-5-16(15)22-19(23-20)13-6-7-13/h2-5,8-9,13,21H,6-7,10-12H2,1H3.
What are the key properties of N-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide?
N-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide has a molecular weight of 447.61 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 24579388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).