1-(4-methylphenyl)-1-(thiophene-2-carbonylamino)urea

C13H13N3O2S — CID 22299475

IUPAC1-(4-methylphenyl)-1-(thiophene-2-carbonylamino)urea
SMILESCc1ccc(N(NC(=O)c2cccs2)C(N)=O)cc1
InChIInChI=1S/C13H13N3O2S/c1-9-4-6-10(7-5-9)16(13(14)18)15-12(17)11-3-2-8-19-11/h2-8H,1H3,(H2,14,18)(H,15,17)
InChIKeyZRQHCZJWZZRGCU-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.29
Rot. Bonds2

About 1-(4-methylphenyl)-1-(thiophene-2-carbonylamino)urea

1-(4-methylphenyl)-1-(thiophene-2-carbonylamino)urea (PubChem CID 22299475) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-1-(thiophene-2-carbonylamino)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-1-(thiophene-2-carbonylamino)urea
PubChem CID22299475
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name1-(4-methylphenyl)-1-(thiophene-2-carbonylamino)urea
SMILESCc1ccc(N(NC(=O)c2cccs2)C(N)=O)cc1
InChIInChI=1S/C13H13N3O2S/c1-9-4-6-10(7-5-9)16(13(14)18)15-12(17)11-3-2-8-19-11/h2-8H,1H3,(H2,14,18)(H,15,17)
InChIKeyZRQHCZJWZZRGCU-UHFFFAOYSA-N
XLogP2.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
1-(1-adamantyl)-1-(thiophene-2-carbonylamino)urea
CID 22305828
N-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide
CID 23200654
N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 51296320
N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide
CID 92500192
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 19210463
N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 1324863
N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18114369
N-[2-(N-[2-(tert-butylamino)-2-oxoethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215630
N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 6468570
N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 917715

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-1-(thiophene-2-carbonylamino)urea?
The IUPAC name of 1-(4-methylphenyl)-1-(thiophene-2-carbonylamino)urea (CID 22299475) is 1-(4-methylphenyl)-1-(thiophene-2-carbonylamino)urea.
What is the SMILES notation for 1-(4-methylphenyl)-1-(thiophene-2-carbonylamino)urea?
The canonical SMILES for 1-(4-methylphenyl)-1-(thiophene-2-carbonylamino)urea is Cc1ccc(N(NC(=O)c2cccs2)C(N)=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-1-(thiophene-2-carbonylamino)urea?
The InChIKey is ZRQHCZJWZZRGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-9-4-6-10(7-5-9)16(13(14)18)15-12(17)11-3-2-8-19-11/h2-8H,1H3,(H2,14,18)(H,15,17).
What are the key properties of 1-(4-methylphenyl)-1-(thiophene-2-carbonylamino)urea?
1-(4-methylphenyl)-1-(thiophene-2-carbonylamino)urea has a molecular weight of 275.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-1-(thiophene-2-carbonylamino)urea is sourced from PubChem (CID 22299475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).