2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide

C20H25N5O4S — CID 18224965

IUPAC2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(C)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C20H25N5O4S/c1-4-25(12(2)19(29)24-20-16(18(21)28)9-10-30-20)11-17(27)23-15-7-5-14(6-8-15)22-13(3)26/h5-10,12H,4,11H2,1-3H3,(H2,21,28)(H,22,26)(H,23,27)(H,24,29)
InChIKeyHJNOKGHUHSTZJT-UHFFFAOYSA-N
MW431.52 g/mol
LogP2.09
Rot. Bonds9

About 2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide

2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide (PubChem CID 18224965) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide
PubChem CID18224965
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC Name2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(C)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C20H25N5O4S/c1-4-25(12(2)19(29)24-20-16(18(21)28)9-10-30-20)11-17(27)23-15-7-5-14(6-8-15)22-13(3)26/h5-10,12H,4,11H2,1-3H3,(H2,21,28)(H,22,26)(H,23,27)(H,24,29)
InChIKeyHJNOKGHUHSTZJT-UHFFFAOYSA-N
XLogP2.09
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide
CID 8779615
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide
CID 8791504
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide
CID 51171051
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 40746002
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclopentylpropanamide
CID 51171045
2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide
CID 62022573
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide
CID 51171048
2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide
CID 47287881
4-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
CID 112769376
2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
CID 79023007
2-[(3-chloro-2-methylpropanoyl)amino]thiophene-3-carboxamide
CID 62726791
2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide
CID 55432559

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide (CID 18224965) is 2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(C)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide?
The InChIKey is HJNOKGHUHSTZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-4-25(12(2)19(29)24-20-16(18(21)28)9-10-30-20)11-17(27)23-15-7-5-14(6-8-15)22-13(3)26/h5-10,12H,4,11H2,1-3H3,(H2,21,28)(H,22,26)(H,23,27)(H,24,29).
What are the key properties of 2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide?
2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 2.09, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 18224965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).