N-[2-[4-[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]phenyl]ethyl]methanesulfonamide

C25H25N3O4S2 — CID 24527466

IUPACN-[2-[4-[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]phenyl]ethyl]methanesulfonamide
SMILESCc1ccc(-c2csc3ncn(CC(=O)c4ccc(CCNS(C)(=O)=O)cc4)c(=O)c23)cc1C
InChIInChI=1S/C25H25N3O4S2/c1-16-4-7-20(12-17(16)2)21-14-33-24-23(21)25(30)28(15-26-24)13-22(29)19-8-5-18(6-9-19)10-11-27-34(3,31)32/h4-9,12,14-15,27H,10-11,13H2,1-3H3
InChIKeyGUWYIEJRRVGLOU-UHFFFAOYSA-N
MW495.63 g/mol
LogP3.72
Rot. Bonds8

About N-[2-[4-[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]phenyl]ethyl]methanesulfonamide

N-[2-[4-[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]phenyl]ethyl]methanesulfonamide (PubChem CID 24527466) has the molecular formula C25H25N3O4S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-[2-[4-[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]phenyl]ethyl]methanesulfonamide
PubChem CID24527466
Molecular FormulaC25H25N3O4S2
Molecular Weight495.63 g/mol
Exact Mass495.13
IUPAC NameN-[2-[4-[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]phenyl]ethyl]methanesulfonamide
SMILESCc1ccc(-c2csc3ncn(CC(=O)c4ccc(CCNS(C)(=O)=O)cc4)c(=O)c23)cc1C
InChIInChI=1S/C25H25N3O4S2/c1-16-4-7-20(12-17(16)2)21-14-33-24-23(21)25(30)28(15-26-24)13-22(29)19-8-5-18(6-9-19)10-11-27-34(3,31)32/h4-9,12,14-15,27H,10-11,13H2,1-3H3
InChIKeyGUWYIEJRRVGLOU-UHFFFAOYSA-N
XLogP3.72
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]phenyl]ethyl]methanesulfonamide with MolForge

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Related Compounds

5-(3,4-dimethylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 20999134
3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7595329
5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one
CID 2792004
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 40859825
5-(3,4-dimethylphenyl)-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 8006059
5-(4-fluorophenyl)-3-[2-oxo-2-(4-propylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 7629294
4-[[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 43029978
3-[2-(4-bromophenyl)-2-oxoethyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 20999101
5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one
CID 7708377
N-(2,3-dimethylphenyl)-2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7595303
N-(2-cyanophenyl)-2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7595306
5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 16578954

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]phenyl]ethyl]methanesulfonamide (CID 24527466) is N-[2-[4-[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]phenyl]ethyl]methanesulfonamide is Cc1ccc(-c2csc3ncn(CC(=O)c4ccc(CCNS(C)(=O)=O)cc4)c(=O)c23)cc1C.
What is the InChIKey of N-[2-[4-[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]phenyl]ethyl]methanesulfonamide?
The InChIKey is GUWYIEJRRVGLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S2/c1-16-4-7-20(12-17(16)2)21-14-33-24-23(21)25(30)28(15-26-24)13-22(29)19-8-5-18(6-9-19)10-11-27-34(3,31)32/h4-9,12,14-15,27H,10-11,13H2,1-3H3.
What are the key properties of N-[2-[4-[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]phenyl]ethyl]methanesulfonamide?
N-[2-[4-[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]phenyl]ethyl]methanesulfonamide has a molecular weight of 495.63 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 24527466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).