N-(2-chlorophenyl)-2-[4-[2-(3-methylthiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanylacetamide

C19H16ClN3OS2 — CID 3610115

IUPACN-(2-chlorophenyl)-2-[4-[2-(3-methylthiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanylacetamide
SMILESCc1ccsc1C=Cc1ccnc(SCC(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C19H16ClN3OS2/c1-13-9-11-25-17(13)7-6-14-8-10-21-19(22-14)26-12-18(24)23-16-5-3-2-4-15(16)20/h2-11H,12H2,1H3,(H,23,24)
InChIKeyZZRMADLILUDSGX-UHFFFAOYSA-N
MW401.94 g/mol
LogP5.40
Rot. Bonds6

About N-(2-chlorophenyl)-2-[4-[2-(3-methylthiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanylacetamide

N-(2-chlorophenyl)-2-[4-[2-(3-methylthiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanylacetamide (PubChem CID 3610115) has the molecular formula C19H16ClN3OS2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[2-(3-methylthiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[2-(3-methylthiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanylacetamide
PubChem CID3610115
Molecular FormulaC19H16ClN3OS2
Molecular Weight401.94 g/mol
Exact Mass401.04
IUPAC NameN-(2-chlorophenyl)-2-[4-[2-(3-methylthiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanylacetamide
SMILESCc1ccsc1C=Cc1ccnc(SCC(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C19H16ClN3OS2/c1-13-9-11-25-17(13)7-6-14-8-10-21-19(22-14)26-12-18(24)23-16-5-3-2-4-15(16)20/h2-11H,12H2,1H3,(H,23,24)
InChIKeyZZRMADLILUDSGX-UHFFFAOYSA-N
XLogP5.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.94
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 46519126
2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 863146
N-(2-chlorophenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7820649
N-(2-chlorophenyl)-2-[3-(2-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 50926155
N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708525
methyl 2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate
CID 901165
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
N-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 3926266
N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
N-(2-chlorophenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[2-(3-methylthiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[2-(3-methylthiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanylacetamide (CID 3610115) is N-(2-chlorophenyl)-2-[4-[2-(3-methylthiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[2-(3-methylthiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[2-(3-methylthiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanylacetamide is Cc1ccsc1C=Cc1ccnc(SCC(=O)Nc2ccccc2Cl)n1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[2-(3-methylthiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is ZZRMADLILUDSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS2/c1-13-9-11-25-17(13)7-6-14-8-10-21-19(22-14)26-12-18(24)23-16-5-3-2-4-15(16)20/h2-11H,12H2,1H3,(H,23,24).
What are the key properties of N-(2-chlorophenyl)-2-[4-[2-(3-methylthiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanylacetamide?
N-(2-chlorophenyl)-2-[4-[2-(3-methylthiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 401.94 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[2-(3-methylthiophen-2-yl)ethenyl]pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 3610115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).