N-[5-(dimethylamino)-2-[(4-methylanilino)-morpholin-4-ylphosphoryl]phenyl]thiophene-2-carboxamide

C24H29N4O3PS — CID 2320399

IUPACN-[5-(dimethylamino)-2-[(4-methylanilino)-morpholin-4-ylphosphoryl]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(NP(=O)(c2ccc(N(C)C)cc2NC(=O)c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C24H29N4O3PS/c1-18-6-8-19(9-7-18)26-32(30,28-12-14-31-15-13-28)22-11-10-20(27(2)3)17-21(22)25-24(29)23-5-4-16-33-23/h4-11,16-17H,12-15H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyJAQYRZSWQASZJI-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.64
Rot. Bonds7

About N-[5-(dimethylamino)-2-[(4-methylanilino)-morpholin-4-ylphosphoryl]phenyl]thiophene-2-carboxamide

N-[5-(dimethylamino)-2-[(4-methylanilino)-morpholin-4-ylphosphoryl]phenyl]thiophene-2-carboxamide (PubChem CID 2320399) has the molecular formula C24H29N4O3PS and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[5-(dimethylamino)-2-[(4-methylanilino)-morpholin-4-ylphosphoryl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)-2-[(4-methylanilino)-morpholin-4-ylphosphoryl]phenyl]thiophene-2-carboxamide
PubChem CID2320399
Molecular FormulaC24H29N4O3PS
Molecular Weight484.56 g/mol
Exact Mass484.17
IUPAC NameN-[5-(dimethylamino)-2-[(4-methylanilino)-morpholin-4-ylphosphoryl]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(NP(=O)(c2ccc(N(C)C)cc2NC(=O)c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C24H29N4O3PS/c1-18-6-8-19(9-7-18)26-32(30,28-12-14-31-15-13-28)22-11-10-20(27(2)3)17-21(22)25-24(29)23-5-4-16-33-23/h4-11,16-17H,12-15H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyJAQYRZSWQASZJI-UHFFFAOYSA-N
XLogP4.64
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-(dimethylamino)-2-[(4-methylanilino)-morpholin-4-ylphosphoryl]phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)-2-[(4-methylanilino)-morpholin-4-ylphosphoryl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(dimethylamino)-2-[(4-methylanilino)-morpholin-4-ylphosphoryl]phenyl]thiophene-2-carboxamide (CID 2320399) is N-[5-(dimethylamino)-2-[(4-methylanilino)-morpholin-4-ylphosphoryl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(dimethylamino)-2-[(4-methylanilino)-morpholin-4-ylphosphoryl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(dimethylamino)-2-[(4-methylanilino)-morpholin-4-ylphosphoryl]phenyl]thiophene-2-carboxamide is Cc1ccc(NP(=O)(c2ccc(N(C)C)cc2NC(=O)c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of N-[5-(dimethylamino)-2-[(4-methylanilino)-morpholin-4-ylphosphoryl]phenyl]thiophene-2-carboxamide?
The InChIKey is JAQYRZSWQASZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N4O3PS/c1-18-6-8-19(9-7-18)26-32(30,28-12-14-31-15-13-28)22-11-10-20(27(2)3)17-21(22)25-24(29)23-5-4-16-33-23/h4-11,16-17H,12-15H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of N-[5-(dimethylamino)-2-[(4-methylanilino)-morpholin-4-ylphosphoryl]phenyl]thiophene-2-carboxamide?
N-[5-(dimethylamino)-2-[(4-methylanilino)-morpholin-4-ylphosphoryl]phenyl]thiophene-2-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)-2-[(4-methylanilino)-morpholin-4-ylphosphoryl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2320399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).