N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide

C20H30N4O5S — CID 4968344

IUPACN-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccccc1N1CCOCC1)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C20H30N4O5S/c1-2-23(13-19(25)21-16-7-12-30(27,28)15-16)14-20(26)22-17-5-3-4-6-18(17)24-8-10-29-11-9-24/h3-6,16H,2,7-15H2,1H3,(H,21,25)(H,22,26)
InChIKeyICFWNWXHKSIJRK-UHFFFAOYSA-N
MW438.55 g/mol
LogP0.09
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide (PubChem CID 4968344) has the molecular formula C20H30N4O5S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
PubChem CID4968344
Molecular FormulaC20H30N4O5S
Molecular Weight438.55 g/mol
Exact Mass438.19
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccccc1N1CCOCC1)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C20H30N4O5S/c1-2-23(13-19(25)21-16-7-12-30(27,28)15-16)14-20(26)22-17-5-3-4-6-18(17)24-8-10-29-11-9-24/h3-6,16H,2,7-15H2,1H3,(H,21,25)(H,22,26)
InChIKeyICFWNWXHKSIJRK-UHFFFAOYSA-N
XLogP0.09
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109001792
2-[[2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]acetyl]amino]-N-phenylbenzamide
CID 4968783
2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113159164
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108951131
2-[acetyl(propan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158255
2-[acetyl(propyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158058
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2549104
2-[acetyl(cyclohexyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113159561
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
2-[cyclohexylmethyl(methyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 46570974
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51140167

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide (CID 4968344) is N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide is CCN(CC(=O)Nc1ccccc1N1CCOCC1)CC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is ICFWNWXHKSIJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O5S/c1-2-23(13-19(25)21-16-7-12-30(27,28)15-16)14-20(26)22-17-5-3-4-6-18(17)24-8-10-29-11-9-24/h3-6,16H,2,7-15H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 438.55 g/mol, XLogP of 0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 4968344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).