N-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide

C16H15F2N3O2S — CID 8682019

IUPACN-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide
SMILESCOc1ccc(NC(=S)NCC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H15F2N3O2S/c1-23-12-5-2-10(3-6-12)21-16(24)19-9-15(22)20-11-4-7-13(17)14(18)8-11/h2-8H,9H2,1H3,(H,20,22)(H2,19,21,24)
InChIKeyVFJXINDMIOJHGL-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.90
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide

N-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide (PubChem CID 8682019) has the molecular formula C16H15F2N3O2S and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide
PubChem CID8682019
Molecular FormulaC16H15F2N3O2S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC NameN-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide
SMILESCOc1ccc(NC(=S)NCC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H15F2N3O2S/c1-23-12-5-2-10(3-6-12)21-16(24)19-9-15(22)20-11-4-7-13(17)14(18)8-11/h2-8H,9H2,1H3,(H,20,22)(H2,19,21,24)
InChIKeyVFJXINDMIOJHGL-UHFFFAOYSA-N
XLogP2.90
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
4-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9083988
2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 16610921
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2657158
2-(benzylcarbamothioylamino)-N-(3,4-difluorophenyl)acetamide
CID 8771439
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 9011002
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9376391
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 86992863
ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 113002353
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 27772937

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide (CID 8682019) is N-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide is COc1ccc(NC(=S)NCC(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide?
The InChIKey is VFJXINDMIOJHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2S/c1-23-12-5-2-10(3-6-12)21-16(24)19-9-15(22)20-11-4-7-13(17)14(18)8-11/h2-8H,9H2,1H3,(H,20,22)(H2,19,21,24).
What are the key properties of N-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide?
N-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide has a molecular weight of 351.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide is sourced from PubChem (CID 8682019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).