N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

C22H16N4O3S — CID 55833588

IUPACN-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C22H16N4O3S/c27-20(15-4-6-16(7-5-15)26-21(28)19-3-1-14-30-19)25-17-8-10-18(11-9-17)29-22-23-12-2-13-24-22/h1-14H,(H,25,27)(H,26,28)
InChIKeyHRNKMTNDKWEBNM-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.84
Rot. Bonds6

About N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55833588) has the molecular formula C22H16N4O3S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55833588
Molecular FormulaC22H16N4O3S
Molecular Weight416.46 g/mol
Exact Mass416.09
IUPAC NameN-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C22H16N4O3S/c27-20(15-4-6-16(7-5-15)26-21(28)19-3-1-14-30-19)25-17-8-10-18(11-9-17)29-22-23-12-2-13-24-22/h1-14H,(H,25,27)(H,26,28)
InChIKeyHRNKMTNDKWEBNM-UHFFFAOYSA-N
XLogP4.84
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-pyrimidin-2-yloxyphenyl)thiophene-2-carboxamide
CID 51173208
4-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenoxy]benzamide
CID 56548979
N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 2972176
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide
CID 2307498
[4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate
CID 34734309
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55833464
4-[(4-methoxyphenyl)sulfamoyl]-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55825890
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide
CID 2204112
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 17296915

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 55833588) is N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is HRNKMTNDKWEBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3S/c27-20(15-4-6-16(7-5-15)26-21(28)19-3-1-14-30-19)25-17-8-10-18(11-9-17)29-22-23-12-2-13-24-22/h1-14H,(H,25,27)(H,26,28).
What are the key properties of N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55833588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).