N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpyrrolidine-2-carboxamide

C22H34N4O5S — CID 55429418

IUPACN-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H34N4O5S/c1-3-16-32(29,30)26-11-5-6-20(26)22(28)24(4-2)17-21(27)23-18-7-9-19(10-8-18)25-12-14-31-15-13-25/h7-10,20H,3-6,11-17H2,1-2H3,(H,23,27)
InChIKeyQKGJYOUKJMUHKB-UHFFFAOYSA-N
MW466.60 g/mol
LogP1.51
Rot. Bonds9

About N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpyrrolidine-2-carboxamide

N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 55429418) has the molecular formula C22H34N4O5S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID55429418
Molecular FormulaC22H34N4O5S
Molecular Weight466.60 g/mol
Exact Mass466.22
IUPAC NameN-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H34N4O5S/c1-3-16-32(29,30)26-11-5-6-20(26)22(28)24(4-2)17-21(27)23-18-7-9-19(10-8-18)25-12-14-31-15-13-25/h7-10,20H,3-6,11-17H2,1-2H3,(H,23,27)
InChIKeyQKGJYOUKJMUHKB-UHFFFAOYSA-N
XLogP1.51
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 8960463
N-ethyl-1-(furan-2-carbonyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55365472
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55755137
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
CID 51156379
N-ethyl-2-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 51331192
1-(cyclopropanecarbonyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55630959
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55429765
(2R)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 9409375
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 51156383
N-ethyl-2-(2-fluorophenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 8960473

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpyrrolidine-2-carboxamide (CID 55429418) is N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)N(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is QKGJYOUKJMUHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O5S/c1-3-16-32(29,30)26-11-5-6-20(26)22(28)24(4-2)17-21(27)23-18-7-9-19(10-8-18)25-12-14-31-15-13-25/h7-10,20H,3-6,11-17H2,1-2H3,(H,23,27).
What are the key properties of N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 466.60 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 55429418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).