N-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide

C18H18N4O3S — CID 2425616

IUPACN-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)Nn2cnc3sc(C)c(C)c3c2=O)c1
InChIInChI=1S/C18H18N4O3S/c1-10-5-4-6-13(7-10)16(24)19-8-14(23)21-22-9-20-17-15(18(22)25)11(2)12(3)26-17/h4-7,9H,8H2,1-3H3,(H,19,24)(H,21,23)
InChIKeyYKEIDICMMDUUNX-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.88
Rot. Bonds4

About N-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide

N-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 2425616) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide
PubChem CID2425616
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)Nn2cnc3sc(C)c(C)c3c2=O)c1
InChIInChI=1S/C18H18N4O3S/c1-10-5-4-6-13(7-10)16(24)19-8-14(23)21-22-9-20-17-15(18(22)25)11(2)12(3)26-17/h4-7,9H,8H2,1-3H3,(H,19,24)(H,21,23)
InChIKeyYKEIDICMMDUUNX-UHFFFAOYSA-N
XLogP1.88
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide (CID 2425616) is N-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)Nn2cnc3sc(C)c(C)c3c2=O)c1.
What is the InChIKey of N-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is YKEIDICMMDUUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-10-5-4-6-13(7-10)16(24)19-8-14(23)21-22-9-20-17-15(18(22)25)11(2)12(3)26-17/h4-7,9H,8H2,1-3H3,(H,19,24)(H,21,23).
What are the key properties of N-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide?
N-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 370.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 2425616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).