1-(4-acetylphenyl)-3-(3-cyanothiophen-2-yl)urea

C14H11N3O2S — CID 61346657

IUPAC1-(4-acetylphenyl)-3-(3-cyanothiophen-2-yl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C14H11N3O2S/c1-9(18)10-2-4-12(5-3-10)16-14(19)17-13-11(8-15)6-7-20-13/h2-7H,1H3,(H2,16,17,19)
InChIKeyUTNZNUVABRIOLJ-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.47
Rot. Bonds3

About 1-(4-acetylphenyl)-3-(3-cyanothiophen-2-yl)urea

1-(4-acetylphenyl)-3-(3-cyanothiophen-2-yl)urea (PubChem CID 61346657) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(3-cyanothiophen-2-yl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(3-cyanothiophen-2-yl)urea
PubChem CID61346657
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name1-(4-acetylphenyl)-3-(3-cyanothiophen-2-yl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C14H11N3O2S/c1-9(18)10-2-4-12(5-3-10)16-14(19)17-13-11(8-15)6-7-20-13/h2-7H,1H3,(H2,16,17,19)
InChIKeyUTNZNUVABRIOLJ-UHFFFAOYSA-N
XLogP3.47
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide
CID 61347220
1-butyl-3-(3-cyanothiophen-2-yl)urea
CID 2078770
2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide
CID 114327374
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661
N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418
N-(3-cyanothiophen-2-yl)-2-methylbenzamide
CID 7192349
N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
CID 2137658
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983
[2-(4-chloroanilino)-2-oxoethyl]-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylazanium
CID 9167380
[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate
CID 8638782
[1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 4-(carbamoylamino)benzoate
CID 45353803
3-bromo-N-(3-cyanothiophen-2-yl)prop-2-ynamide
CID 131097695

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(3-cyanothiophen-2-yl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(3-cyanothiophen-2-yl)urea (CID 61346657) is 1-(4-acetylphenyl)-3-(3-cyanothiophen-2-yl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(3-cyanothiophen-2-yl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(3-cyanothiophen-2-yl)urea is CC(=O)c1ccc(NC(=O)Nc2sccc2C#N)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(3-cyanothiophen-2-yl)urea?
The InChIKey is UTNZNUVABRIOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-9(18)10-2-4-12(5-3-10)16-14(19)17-13-11(8-15)6-7-20-13/h2-7H,1H3,(H2,16,17,19).
What are the key properties of 1-(4-acetylphenyl)-3-(3-cyanothiophen-2-yl)urea?
1-(4-acetylphenyl)-3-(3-cyanothiophen-2-yl)urea has a molecular weight of 285.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(3-cyanothiophen-2-yl)urea is sourced from PubChem (CID 61346657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).