N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide

C24H22N4O3S — CID 2946303

IUPACN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide
SMILESCOc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)c3cccs3)c2)c2ccccc12
InChIInChI=1S/C24H22N4O3S/c1-30-24-18-6-3-2-5-17(18)22(26-27-24)16-8-9-20(28-10-12-31-13-11-28)19(15-16)25-23(29)21-7-4-14-32-21/h2-9,14-15H,10-13H2,1H3,(H,25,29)
InChIKeyRBQQICAPXBEAME-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.46
Rot. Bonds5

About N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide

N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide (PubChem CID 2946303) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide
PubChem CID2946303
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide
SMILESCOc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)c3cccs3)c2)c2ccccc12
InChIInChI=1S/C24H22N4O3S/c1-30-24-18-6-3-2-5-17(18)22(26-27-24)16-8-9-20(28-10-12-31-13-11-28)19(15-16)25-23(29)21-7-4-14-32-21/h2-9,14-15H,10-13H2,1H3,(H,25,29)
InChIKeyRBQQICAPXBEAME-UHFFFAOYSA-N
XLogP4.46
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(3-methylphenoxy)acetamide
CID 2946286
3-[(3,4-dimethoxybenzoyl)-[[3-[4-morpholin-4-yl-3-(thiophene-2-carbonylamino)phenyl]phenyl]methyl]amino]propanoic acid
CID 23824785
N-[(2-morpholin-4-ylphenyl)carbamoyl]thiophene-2-carboxamide
CID 110866569
2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid
CID 783853
N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide
CID 4626135
N-(6-morpholin-4-ylpyridazin-3-yl)thiophene-2-carboxamide
CID 113039647
N-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 17438743
N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 51180135
methyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate
CID 23826029
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 113092695
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 953308
N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91675331

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide (CID 2946303) is N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide is COc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)c3cccs3)c2)c2ccccc12.
What is the InChIKey of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide?
The InChIKey is RBQQICAPXBEAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-30-24-18-6-3-2-5-17(18)22(26-27-24)16-8-9-20(28-10-12-31-13-11-28)19(15-16)25-23(29)21-7-4-14-32-21/h2-9,14-15H,10-13H2,1H3,(H,25,29).
What are the key properties of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide?
N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2946303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).