N,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide

C20H23N5O3S2 — CID 39072902

IUPACN,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCc1cc2c(N3CCN(C(=O)c4ccc(S(=O)(=O)N(C)C)cc4)CC3)ncnc2s1
InChIInChI=1S/C20H23N5O3S2/c1-14-12-17-18(21-13-22-19(17)29-14)24-8-10-25(11-9-24)20(26)15-4-6-16(7-5-15)30(27,28)23(2)3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyZTLQVSHDEJTYQQ-UHFFFAOYSA-N
MW445.57 g/mol
LogP2.21
Rot. Bonds4

About N,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide

N,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 39072902) has the molecular formula C20H23N5O3S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID39072902
Molecular FormulaC20H23N5O3S2
Molecular Weight445.57 g/mol
Exact Mass445.12
IUPAC NameN,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCc1cc2c(N3CCN(C(=O)c4ccc(S(=O)(=O)N(C)C)cc4)CC3)ncnc2s1
InChIInChI=1S/C20H23N5O3S2/c1-14-12-17-18(21-13-22-19(17)29-14)24-8-10-25(11-9-24)20(26)15-4-6-16(7-5-15)30(27,28)23(2)3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyZTLQVSHDEJTYQQ-UHFFFAOYSA-N
XLogP2.21
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 39073037
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 21062700
(2-methylphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072836
(2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072864
2,2-dimethyl-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 39072814
[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 39073106
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 39072808
(4-aminophenyl)-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 21062733
(2-fluorophenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133408890
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 21062807
4-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 110645062

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide (CID 39072902) is N,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide is Cc1cc2c(N3CCN(C(=O)c4ccc(S(=O)(=O)N(C)C)cc4)CC3)ncnc2s1.
What is the InChIKey of N,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is ZTLQVSHDEJTYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S2/c1-14-12-17-18(21-13-22-19(17)29-14)24-8-10-25(11-9-24)20(26)15-4-6-16(7-5-15)30(27,28)23(2)3/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide?
N,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 445.57 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 39072902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).