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

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Related Compounds

N-[2-[5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24527920
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 24579397
N-[2-[5-[2-(4-propan-2-ylphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 39044976
N-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide
CID 24579384
N-[2-[5-[2-(2,4-dimethylphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 27352472
N-[2-[5-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 55448454
2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide
CID 43814889
N-[2-[5-[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 55579164
N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide
CID 1465918
2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1465916
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 24579325
N-[2-[5-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 33299497

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).