N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide

C18H16N2O5S3 — CID 27185048

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2cc3ccccc3oc2=O)cs1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H16N2O5S3/c21-16(19-12-5-6-28(23,24)10-12)9-27-18-20-14(8-26-18)13-7-11-3-1-2-4-15(11)25-17(13)22/h1-4,7-8,12H,5-6,9-10H2,(H,19,21)/t12-/m1/s1
InChIKeyMFEDLRQNRDEUBX-GFCCVEGCSA-N
MW436.54 g/mol
LogP2.31
Rot. Bonds5

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide (PubChem CID 27185048) has the molecular formula C18H16N2O5S3 and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide
PubChem CID27185048
Molecular FormulaC18H16N2O5S3
Molecular Weight436.54 g/mol
Exact Mass436.02
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2cc3ccccc3oc2=O)cs1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H16N2O5S3/c21-16(19-12-5-6-28(23,24)10-12)9-27-18-20-14(8-26-18)13-7-11-3-1-2-4-15(11)25-17(13)22/h1-4,7-8,12H,5-6,9-10H2,(H,19,21)/t12-/m1/s1
InChIKeyMFEDLRQNRDEUBX-GFCCVEGCSA-N
XLogP2.31
TPSA106.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591206
N-(1,1-dioxothiolan-3-yl)-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide
CID 42650118
3-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-yl]chromen-2-one
CID 16644544
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-oxochromene-3-carboxamide
CID 110673344
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193729
N-[(3R)-1,1-dioxothiolan-3-yl]-2-quinolin-2-ylsulfanylacetamide
CID 40551032
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]acetamide
CID 31613631
N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 18777491
N-(1,1-dioxothiolan-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4572602
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795706
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7857133
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 40903371

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide (CID 27185048) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nc(-c2cc3ccccc3oc2=O)cs1)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The InChIKey is MFEDLRQNRDEUBX-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16N2O5S3/c21-16(19-12-5-6-28(23,24)10-12)9-27-18-20-14(8-26-18)13-7-11-3-1-2-4-15(11)25-17(13)22/h1-4,7-8,12H,5-6,9-10H2,(H,19,21)/t12-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide has a molecular weight of 436.54 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 27185048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).