N-[2-[anilino(morpholin-4-yl)phosphoryl]-5-(dimethylamino)phenyl]thiophene-2-carboxamide

C23H27N4O3PS — CID 2320397

IUPACN-[2-[anilino(morpholin-4-yl)phosphoryl]-5-(dimethylamino)phenyl]thiophene-2-carboxamide
SMILESCN(C)c1ccc(P(=O)(Nc2ccccc2)N2CCOCC2)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C23H27N4O3PS/c1-26(2)19-10-11-21(20(17-19)24-23(28)22-9-6-16-32-22)31(29,27-12-14-30-15-13-27)25-18-7-4-3-5-8-18/h3-11,16-17H,12-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyPSBAQABNTCUBRD-UHFFFAOYSA-N
MW470.54 g/mol
LogP4.33
Rot. Bonds7

About N-[2-[anilino(morpholin-4-yl)phosphoryl]-5-(dimethylamino)phenyl]thiophene-2-carboxamide

N-[2-[anilino(morpholin-4-yl)phosphoryl]-5-(dimethylamino)phenyl]thiophene-2-carboxamide (PubChem CID 2320397) has the molecular formula C23H27N4O3PS and a molecular weight of 470.54 g/mol. Its IUPAC name is N-[2-[anilino(morpholin-4-yl)phosphoryl]-5-(dimethylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[anilino(morpholin-4-yl)phosphoryl]-5-(dimethylamino)phenyl]thiophene-2-carboxamide
PubChem CID2320397
Molecular FormulaC23H27N4O3PS
Molecular Weight470.54 g/mol
Exact Mass470.15
IUPAC NameN-[2-[anilino(morpholin-4-yl)phosphoryl]-5-(dimethylamino)phenyl]thiophene-2-carboxamide
SMILESCN(C)c1ccc(P(=O)(Nc2ccccc2)N2CCOCC2)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C23H27N4O3PS/c1-26(2)19-10-11-21(20(17-19)24-23(28)22-9-6-16-32-22)31(29,27-12-14-30-15-13-27)25-18-7-4-3-5-8-18/h3-11,16-17H,12-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyPSBAQABNTCUBRD-UHFFFAOYSA-N
XLogP4.33
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-morpholinophenyl)-2-thiophenecarboxamide
CID 1485336
N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 734614
N-(3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 847853
N-(2,4-di-4-morpholinylphenyl)-2-thiophenecarboxamide
CID 2204063
N-[5-(dimethylamino)-2-[(4-methylanilino)-morpholin-4-ylphosphoryl]phenyl]thiophene-2-carboxamide
CID 2320399
N-[5-(dimethylamino)-2-[morpholin-4-yl-[3-(trifluoromethyl)anilino]phosphoryl]phenyl]thiophene-2-carboxamide
CID 2320400
N-[5-(dimethylamino)-2-[morpholin-4-yl-(4-nitroanilino)phosphoryl]phenyl]thiophene-2-carboxamide
CID 4425002
N-(4-morpholinophenyl)-2-(thiophen-2-yl)acetamide
CID 720218
N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 891718
N-[2-[(3-chloro-4-methylanilino)-morpholin-4-ylphosphoryl]-5-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 2320398
N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 2453370
N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 777134

Frequently Asked Questions

What is the IUPAC name of N-[2-[anilino(morpholin-4-yl)phosphoryl]-5-(dimethylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[anilino(morpholin-4-yl)phosphoryl]-5-(dimethylamino)phenyl]thiophene-2-carboxamide (CID 2320397) is N-[2-[anilino(morpholin-4-yl)phosphoryl]-5-(dimethylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[anilino(morpholin-4-yl)phosphoryl]-5-(dimethylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[anilino(morpholin-4-yl)phosphoryl]-5-(dimethylamino)phenyl]thiophene-2-carboxamide is CN(C)c1ccc(P(=O)(Nc2ccccc2)N2CCOCC2)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-[anilino(morpholin-4-yl)phosphoryl]-5-(dimethylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is PSBAQABNTCUBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N4O3PS/c1-26(2)19-10-11-21(20(17-19)24-23(28)22-9-6-16-32-22)31(29,27-12-14-30-15-13-27)25-18-7-4-3-5-8-18/h3-11,16-17H,12-15H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-[anilino(morpholin-4-yl)phosphoryl]-5-(dimethylamino)phenyl]thiophene-2-carboxamide?
N-[2-[anilino(morpholin-4-yl)phosphoryl]-5-(dimethylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 470.54 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[anilino(morpholin-4-yl)phosphoryl]-5-(dimethylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2320397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).