N-[(2S)-butan-2-yl]-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide

C16H23N3O2S2 — CID 51392839

IUPACN-[(2S)-butan-2-yl]-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCCCCn1c(SCC(=O)N[C@@H](C)CC)nc2ccsc2c1=O
InChIInChI=1S/C16H23N3O2S2/c1-4-6-8-19-15(21)14-12(7-9-22-14)18-16(19)23-10-13(20)17-11(3)5-2/h7,9,11H,4-6,8,10H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyUAZLQDRYWMDMLV-NSHDSACASA-N
MW353.51 g/mol
LogP3.26
Rot. Bonds8

About N-[(2S)-butan-2-yl]-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide

N-[(2S)-butan-2-yl]-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide (PubChem CID 51392839) has the molecular formula C16H23N3O2S2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
PubChem CID51392839
Molecular FormulaC16H23N3O2S2
Molecular Weight353.51 g/mol
Exact Mass353.12
IUPAC NameN-[(2S)-butan-2-yl]-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCCCCn1c(SCC(=O)N[C@@H](C)CC)nc2ccsc2c1=O
InChIInChI=1S/C16H23N3O2S2/c1-4-6-8-19-15(21)14-12(7-9-22-14)18-16(19)23-10-13(20)17-11(3)5-2/h7,9,11H,4-6,8,10H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyUAZLQDRYWMDMLV-NSHDSACASA-N
XLogP3.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135417422
10-oxo-N-(thien-2-ylmethyl)-10H-pyrido[1,2-a]thieno[3,2-d]pyrimidine-5-carboxamide
CID 3374252
N-cyclopropyl-2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2377724
4-[2-[(2-Ethoxy-2-oxoethyl)thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]-1-piperidinecarboxylic acid ethyl ester
CID 3241294
2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide
CID 8899214
N-[2-(4-oxo-6-phenyl-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanylethyl]acetamide
CID 9106442
Ethyl 4-[2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-D]pyrimidin-3(4H)-YL]tetrahydro-1(2H)-pyridinecarboxylate
CID 9550584
N-(4-methylbenzyl)-1-(4-oxo-4H-thieno[3,2-d][1,3]thiazin-2-yl)piperidine-3-carboxamide
CID 16194015
2-(Cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719988
2-(Cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719989
3-Ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729736
2-(Cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118729740

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide (CID 51392839) is N-[(2S)-butan-2-yl]-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide is CCCCn1c(SCC(=O)N[C@@H](C)CC)nc2ccsc2c1=O.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide?
The InChIKey is UAZLQDRYWMDMLV-NSHDSACASA-N. The full InChI is InChI=1S/C16H23N3O2S2/c1-4-6-8-19-15(21)14-12(7-9-22-14)18-16(19)23-10-13(20)17-11(3)5-2/h7,9,11H,4-6,8,10H2,1-3H3,(H,17,20)/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide?
N-[(2S)-butan-2-yl]-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide has a molecular weight of 353.51 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 51392839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).