N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide

C18H17N3O3S — CID 99844064

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCc1csc2c(=O)n(CC(=O)N[C@H]3CCOc4ccccc43)cnc12
InChIInChI=1S/C18H17N3O3S/c1-11-9-25-17-16(11)19-10-21(18(17)23)8-15(22)20-13-6-7-24-14-5-3-2-4-12(13)14/h2-5,9-10,13H,6-8H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyWAWXBEJCCUDFIP-ZDUSSCGKSA-N
MW355.42 g/mol
LogP2.41
Rot. Bonds3

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 99844064) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID99844064
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCc1csc2c(=O)n(CC(=O)N[C@H]3CCOc4ccccc43)cnc12
InChIInChI=1S/C18H17N3O3S/c1-11-9-25-17-16(11)19-10-21(18(17)23)8-15(22)20-13-6-7-24-14-5-3-2-4-12(13)14/h2-5,9-10,13H,6-8H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyWAWXBEJCCUDFIP-ZDUSSCGKSA-N
XLogP2.41
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide (CID 99844064) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide is Cc1csc2c(=O)n(CC(=O)N[C@H]3CCOc4ccccc43)cnc12.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is WAWXBEJCCUDFIP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-9-25-17-16(11)19-10-21(18(17)23)8-15(22)20-13-6-7-24-14-5-3-2-4-12(13)14/h2-5,9-10,13H,6-8H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 355.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 99844064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).