1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea

C16H18N4O4S — CID 86806417

IUPAC1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea
SMILESCC(C)(O)C(=O)NNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C16H18N4O4S/c1-16(2,24)14(22)20-19-13(21)11-8-9-12(25-11)18-15(23)17-10-6-4-3-5-7-10/h3-9,24H,1-2H3,(H,19,21)(H,20,22)(H2,17,18,23)
InChIKeyNLJLABQBQDYQEC-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.92
Rot. Bonds4

About 1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea

1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea (PubChem CID 86806417) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea
PubChem CID86806417
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea
SMILESCC(C)(O)C(=O)NNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C16H18N4O4S/c1-16(2,24)14(22)20-19-13(21)11-8-9-12(25-11)18-15(23)17-10-6-4-3-5-7-10/h3-9,24H,1-2H3,(H,19,21)(H,20,22)(H2,17,18,23)
InChIKeyNLJLABQBQDYQEC-UHFFFAOYSA-N
XLogP1.92
TPSA119.56 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 78846553
N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846361
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 119598682
5-(phenylcarbamoylamino)-N-[(1-phenylcyclopropyl)methyl]thiophene-2-carboxamide
CID 78849767
N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78853961
N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849139
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849662
N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849550
5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride
CID 119387776
5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86921803
N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846484
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850259

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea?
The IUPAC name of 1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea (CID 86806417) is 1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea?
The canonical SMILES for 1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea is CC(C)(O)C(=O)NNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1.
What is the InChIKey of 1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea?
The InChIKey is NLJLABQBQDYQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-16(2,24)14(22)20-19-13(21)11-8-9-12(25-11)18-15(23)17-10-6-4-3-5-7-10/h3-9,24H,1-2H3,(H,19,21)(H,20,22)(H2,17,18,23).
What are the key properties of 1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea?
1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea has a molecular weight of 362.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea is sourced from PubChem (CID 86806417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).