N-[3-[2-(cyclopropylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide

C16H16N4O2S2 — CID 164620222

IUPACN-[3-[2-(cyclopropylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2csc3cnc(NC4CC4)nc23)c1
InChIInChI=1S/C16H16N4O2S2/c1-24(21,22)20-12-4-2-3-10(7-12)13-9-23-14-8-17-16(19-15(13)14)18-11-5-6-11/h2-4,7-9,11,20H,5-6H2,1H3,(H,17,18,19)
InChIKeyJXFWFYRGRIJIIL-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.30
Rot. Bonds5

About N-[3-[2-(cyclopropylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide

N-[3-[2-(cyclopropylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide (PubChem CID 164620222) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[3-[2-(cyclopropylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(cyclopropylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
PubChem CID164620222
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC NameN-[3-[2-(cyclopropylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2csc3cnc(NC4CC4)nc23)c1
InChIInChI=1S/C16H16N4O2S2/c1-24(21,22)20-12-4-2-3-10(7-12)13-9-23-14-8-17-16(19-15(13)14)18-11-5-6-11/h2-4,7-9,11,20H,5-6H2,1H3,(H,17,18,19)
InChIKeyJXFWFYRGRIJIIL-UHFFFAOYSA-N
XLogP3.30
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-[4-(4-ethylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 90466261
1-(3-Methylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138109
N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 42629191
3-[2-[4-(4-ethylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide
CID 90466550
Flt3-IN-17
CID 164627080
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-phenylthieno[3,2-d]pyrimidin-2-amine
CID 164609501
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(3-methylsulfonylphenyl)thieno[3,2-d]pyrimidin-2-amine
CID 164609988
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(3-nitrophenyl)thieno[3,2-d]pyrimidin-2-amine
CID 164613165
N-[3-[2-[4-(4-ethylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]phenyl]-N-methylmethanesulfonamide
CID 164620447
7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidin-2-amine
CID 164620981
N-[3-[2-[4-(4-hydroxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 164623024
N-(2-(dimethylamino)ethyl)-4-(4-(thiophen-3-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 46890320

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclopropylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-(cyclopropylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide (CID 164620222) is N-[3-[2-(cyclopropylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(cyclopropylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(cyclopropylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2csc3cnc(NC4CC4)nc23)c1.
What is the InChIKey of N-[3-[2-(cyclopropylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The InChIKey is JXFWFYRGRIJIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-24(21,22)20-12-4-2-3-10(7-12)13-9-23-14-8-17-16(19-15(13)14)18-11-5-6-11/h2-4,7-9,11,20H,5-6H2,1H3,(H,17,18,19).
What are the key properties of N-[3-[2-(cyclopropylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
N-[3-[2-(cyclopropylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide has a molecular weight of 360.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclopropylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 164620222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).