2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide

C15H16N4O3S2 — CID 133423878

IUPAC2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide
SMILESCOc1ccc(CCNc2ncnc3sccc23)cc1S(N)(=O)=O
InChIInChI=1S/C15H16N4O3S2/c1-22-12-3-2-10(8-13(12)24(16,20)21)4-6-17-14-11-5-7-23-15(11)19-9-18-14/h2-3,5,7-9H,4,6H2,1H3,(H2,16,20,21)(H,17,18,19)
InChIKeyIKTAQZIGEIYDGA-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.00
Rot. Bonds6

About 2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide

2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide (PubChem CID 133423878) has the molecular formula C15H16N4O3S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide
PubChem CID133423878
Molecular FormulaC15H16N4O3S2
Molecular Weight364.45 g/mol
Exact Mass364.07
IUPAC Name2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide
SMILESCOc1ccc(CCNc2ncnc3sccc23)cc1S(N)(=O)=O
InChIInChI=1S/C15H16N4O3S2/c1-22-12-3-2-10(8-13(12)24(16,20)21)4-6-17-14-11-5-7-23-15(11)19-9-18-14/h2-3,5,7-9H,4,6H2,1H3,(H2,16,20,21)(H,17,18,19)
InChIKeyIKTAQZIGEIYDGA-UHFFFAOYSA-N
XLogP2.00
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol
CID 47060280
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 2229408
3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzoic acid
CID 63795475
N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457693
N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
CID 71757647
5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide
CID 133463044
N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 75493496
N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 58338058
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate
CID 83204037
6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline
CID 151000530
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide (CID 133423878) is 2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide is COc1ccc(CCNc2ncnc3sccc23)cc1S(N)(=O)=O.
What is the InChIKey of 2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide?
The InChIKey is IKTAQZIGEIYDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S2/c1-22-12-3-2-10(8-13(12)24(16,20)21)4-6-17-14-11-5-7-23-15(11)19-9-18-14/h2-3,5,7-9H,4,6H2,1H3,(H2,16,20,21)(H,17,18,19).
What are the key properties of 2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide?
2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide has a molecular weight of 364.45 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 133423878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).