4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-N,N-dimethylbenzenesulfonamide

C17H19N3O3S2 — CID 167838748

IUPAC4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1sc2ncn(Cc3ccc(S(=O)(=O)N(C)C)cc3)c(=O)c2c1C
InChIInChI=1S/C17H19N3O3S2/c1-11-12(2)24-16-15(11)17(21)20(10-18-16)9-13-5-7-14(8-6-13)25(22,23)19(3)4/h5-8,10H,9H2,1-4H3
InChIKeyUUMBVWWUXPZNGK-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.37
Rot. Bonds4

About 4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-N,N-dimethylbenzenesulfonamide

4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 167838748) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID167838748
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1sc2ncn(Cc3ccc(S(=O)(=O)N(C)C)cc3)c(=O)c2c1C
InChIInChI=1S/C17H19N3O3S2/c1-11-12(2)24-16-15(11)17(21)20(10-18-16)9-13-5-7-14(8-6-13)25(22,23)19(3)4/h5-8,10H,9H2,1-4H3
InChIKeyUUMBVWWUXPZNGK-UHFFFAOYSA-N
XLogP2.37
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 734927
3-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 49151163
3-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 1093547
3-[2-(dimethylamino)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245056
3-[3-(dimethylamino)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245042
3-[(4-carboxylatophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 7710170
11-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 46435502
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylpropanamide
CID 55824098
N-[[4-(dimethylamino)phenyl]methyl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 18148852
5-methyl-3-[(4-nitrophenyl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23411090
3-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 7885759
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 9353654

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-N,N-dimethylbenzenesulfonamide (CID 167838748) is 4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-N,N-dimethylbenzenesulfonamide is Cc1sc2ncn(Cc3ccc(S(=O)(=O)N(C)C)cc3)c(=O)c2c1C.
What is the InChIKey of 4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is UUMBVWWUXPZNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-11-12(2)24-16-15(11)17(21)20(10-18-16)9-13-5-7-14(8-6-13)25(22,23)19(3)4/h5-8,10H,9H2,1-4H3.
What are the key properties of 4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-N,N-dimethylbenzenesulfonamide?
4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 377.49 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 167838748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).