N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide

C22H28N4O4S — CID 24676971

IUPACN-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)s1
InChIInChI=1S/C22H28N4O4S/c1-16-2-5-20(31-16)22(28)23-15-21(27)24-18-4-3-17(25-6-10-29-11-7-25)14-19(18)26-8-12-30-13-9-26/h2-5,14H,6-13,15H2,1H3,(H,23,28)(H,24,27)
InChIKeyVVRXONQJIYXNBX-UHFFFAOYSA-N
MW444.56 g/mol
LogP2.10
Rot. Bonds6

About N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 24676971) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID24676971
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC NameN-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)s1
InChIInChI=1S/C22H28N4O4S/c1-16-2-5-20(31-16)22(28)23-15-21(27)24-18-4-3-17(25-6-10-29-11-7-25)14-19(18)26-8-12-30-13-9-26/h2-5,14H,6-13,15H2,1H3,(H,23,28)(H,24,27)
InChIKeyVVRXONQJIYXNBX-UHFFFAOYSA-N
XLogP2.10
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 48681400
4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide
CID 55795204
5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 8961115
N-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 17438743
4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide
CID 119900958
5-bromo-N-methyl-N-[2-(2-methyl-4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 55853377
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide
CID 112771327
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31458228
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide
CID 112761780
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18108028
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18107439
N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-1H-pyrrole-2-carboxamide
CID 167806321

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 24676971) is N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)s1.
What is the InChIKey of N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is VVRXONQJIYXNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-16-2-5-20(31-16)22(28)23-15-21(27)24-18-4-3-17(25-6-10-29-11-7-25)14-19(18)26-8-12-30-13-9-26/h2-5,14H,6-13,15H2,1H3,(H,23,28)(H,24,27).
What are the key properties of N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 24676971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).