2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide

C18H15F2N3O3S — CID 69447147

IUPAC2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide
SMILESCCOc1ccc2c(C(N)=O)c(NC(=O)Nc3ccc(F)cc3F)sc2c1
InChIInChI=1S/C18H15F2N3O3S/c1-2-26-10-4-5-11-14(8-10)27-17(15(11)16(21)24)23-18(25)22-13-6-3-9(19)7-12(13)20/h3-8H,2H2,1H3,(H2,21,24)(H2,22,23,25)
InChIKeyJYMPLWCFHWRGLX-UHFFFAOYSA-N
MW391.40 g/mol
LogP4.32
Rot. Bonds5

About 2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide

2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide (PubChem CID 69447147) has the molecular formula C18H15F2N3O3S and a molecular weight of 391.40 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide
PubChem CID69447147
Molecular FormulaC18H15F2N3O3S
Molecular Weight391.40 g/mol
Exact Mass391.08
IUPAC Name2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide
SMILESCCOc1ccc2c(C(N)=O)c(NC(=O)Nc3ccc(F)cc3F)sc2c1
InChIInChI=1S/C18H15F2N3O3S/c1-2-26-10-4-5-11-14(8-10)27-17(15(11)16(21)24)23-18(25)22-13-6-3-9(19)7-12(13)20/h3-8H,2H2,1H3,(H2,21,24)(H2,22,23,25)
InChIKeyJYMPLWCFHWRGLX-UHFFFAOYSA-N
XLogP4.32
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658
methyl 5-[(2,4-difluorophenyl)carbamoylamino]-3-ethoxy-1-benzothiophene-2-carboxylate
CID 53106828
1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea
CID 122301865
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 2356763
1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea
CID 74247125
ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate
CID 51178974
1-[3-(2-chlorophenyl)-5,6-dimethyl-1-benzothiophen-2-yl]-3-(2,4-difluorophenyl)urea
CID 18688840
1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 972200
N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 19798448
2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide
CID 113351033
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide (CID 69447147) is 2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide is CCOc1ccc2c(C(N)=O)c(NC(=O)Nc3ccc(F)cc3F)sc2c1.
What is the InChIKey of 2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide?
The InChIKey is JYMPLWCFHWRGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3S/c1-2-26-10-4-5-11-14(8-10)27-17(15(11)16(21)24)23-18(25)22-13-6-3-9(19)7-12(13)20/h3-8H,2H2,1H3,(H2,21,24)(H2,22,23,25).
What are the key properties of 2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide?
2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide has a molecular weight of 391.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 69447147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).