2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

C21H24N4O3S2 — CID 55555037

IUPAC2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2n1
InChIInChI=1S/C21H24N4O3S2/c1-13-18-14(2)22-15(3)23-21(18)29-19(13)20(26)24-16-7-9-17(10-8-16)30(27,28)25-11-5-4-6-12-25/h7-10H,4-6,11-12H2,1-3H3,(H,24,26)
InChIKeyNPXKVYHFGDOBHO-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.04
Rot. Bonds4

About 2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55555037) has the molecular formula C21H24N4O3S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55555037
Molecular FormulaC21H24N4O3S2
Molecular Weight444.58 g/mol
Exact Mass444.13
IUPAC Name2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2n1
InChIInChI=1S/C21H24N4O3S2/c1-13-18-14(2)22-15(3)23-21(18)29-19(13)20(26)24-16-7-9-17(10-8-16)30(27,28)25-11-5-4-6-12-25/h7-10H,4-6,11-12H2,1-3H3,(H,24,26)
InChIKeyNPXKVYHFGDOBHO-UHFFFAOYSA-N
XLogP4.04
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,5-trimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 56501551
2-ethyl-4,5-dimethyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
CID 30469334
4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55406198
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 55464525
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 6469593
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide
CID 112770537
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 58326585
3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 18275492
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 55555037) is 2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C)c2c(C)c(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2n1.
What is the InChIKey of 2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NPXKVYHFGDOBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2/c1-13-18-14(2)22-15(3)23-21(18)29-19(13)20(26)24-16-7-9-17(10-8-16)30(27,28)25-11-5-4-6-12-25/h7-10H,4-6,11-12H2,1-3H3,(H,24,26).
What are the key properties of 2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55555037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).