N-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

C19H22N4O4S — CID 17438743

IUPACN-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H22N4O4S/c24-17(12-21-19(26)16-6-3-11-28-16)20-13-18(25)22-14-4-1-2-5-15(14)23-7-9-27-10-8-23/h1-6,11H,7-10,12-13H2,(H,20,24)(H,21,26)(H,22,25)
InChIKeyPCKCLKLWURPZSL-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.07
Rot. Bonds7

About N-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 17438743) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID17438743
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC NameN-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H22N4O4S/c24-17(12-21-19(26)16-6-3-11-28-16)20-13-18(25)22-14-4-1-2-5-15(14)23-7-9-27-10-8-23/h1-6,11H,7-10,12-13H2,(H,20,24)(H,21,26)(H,22,25)
InChIKeyPCKCLKLWURPZSL-UHFFFAOYSA-N
XLogP1.07
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 51180135
N-[(2-morpholin-4-ylphenyl)carbamoyl]thiophene-2-carboxamide
CID 110866569
2-(2-fluorophenyl)-N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 113000301
N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 24660504
N-[4-[2-(azepan-1-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 24660506
N-(2-morpholin-4-ylphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 113000312
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109037337
N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 24676971
2-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 60622169
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 17438743) is N-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)NCC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is PCKCLKLWURPZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c24-17(12-21-19(26)16-6-3-11-28-16)20-13-18(25)22-14-4-1-2-5-15(14)23-7-9-27-10-8-23/h1-6,11H,7-10,12-13H2,(H,20,24)(H,21,26)(H,22,25).
What are the key properties of N-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 17438743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).