N-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide

C20H21N5O2S — CID 46944231

IUPACN-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc2cc(-c3ccc4c(ccn4C)c3)sc2c(=O)n1C
InChIInChI=1S/C20H21N5O2S/c1-12(26)21-7-8-22-20-23-15-11-17(28-18(15)19(27)25(20)3)14-4-5-16-13(10-14)6-9-24(16)2/h4-6,9-11H,7-8H2,1-3H3,(H,21,26)(H,22,23)
InChIKeyNCPOATQUSBQSFN-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.70
Rot. Bonds5

About N-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide

N-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide (PubChem CID 46944231) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide
PubChem CID46944231
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC NameN-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc2cc(-c3ccc4c(ccn4C)c3)sc2c(=O)n1C
InChIInChI=1S/C20H21N5O2S/c1-12(26)21-7-8-22-20-23-15-11-17(28-18(15)19(27)25(20)3)14-4-5-16-13(10-14)6-9-24(16)2/h4-6,9-11H,7-8H2,1-3H3,(H,21,26)(H,22,23)
InChIKeyNCPOATQUSBQSFN-UHFFFAOYSA-N
XLogP2.70
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-Methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143528
N-[3-(dimethylamino)propyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143541
Benzothienopyrimidinone deriv., 15b
CID 135927961
Benzothienopyrimidinone deriv., 16a
CID 135927963
13-(4-Methylphenyl)-10-thia-3,8,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one
CID 16659645
N-[2-(dimethylamino)ethyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143540
5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 169551885
5-(1-Benzylindol-3-yl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
CID 660805
N-cyclohexyl-2-[3-(2-thienylcarbonyl)-1H-indol-1-yl]acetamide
CID 1291491
N-[2-(3-{[(2-Methylphenyl)methyl]sulfanyl}-1H-indol-1-YL)ethyl]thiophene-2-carboxamide
CID 4658323
7-[(4-Methylphenyl)amino]-6-[(thiophen-2-YL)methyl]-5H,6H,7H-pyrrolo[3,4-B]pyridin-5-one
CID 16193844
N-(2-(dimethylamino)ethyl)-5-(1H-indol-1-yl)thiophene-2-carboxamide
CID 20940652

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide (CID 46944231) is N-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nc2cc(-c3ccc4c(ccn4C)c3)sc2c(=O)n1C.
What is the InChIKey of N-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide?
The InChIKey is NCPOATQUSBQSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-12(26)21-7-8-22-20-23-15-11-17(28-18(15)19(27)25(20)3)14-4-5-16-13(10-14)6-9-24(16)2/h4-6,9-11H,7-8H2,1-3H3,(H,21,26)(H,22,23).
What are the key properties of N-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide?
N-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide has a molecular weight of 395.49 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 46944231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).