4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide

C18H21N3O3S — CID 122565784

IUPAC4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide
SMILESNCCC1CN(C(=O)c2ccc(-c3csc(C(N)=O)c3)cc2)CCO1
InChIInChI=1S/C18H21N3O3S/c19-6-5-15-10-21(7-8-24-15)18(23)13-3-1-12(2-4-13)14-9-16(17(20)22)25-11-14/h1-4,9,11,15H,5-8,10,19H2,(H2,20,22)
InChIKeyFPOFIMRIZFEWET-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.70
Rot. Bonds5

About 4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide

4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide (PubChem CID 122565784) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide
PubChem CID122565784
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide
SMILESNCCC1CN(C(=O)c2ccc(-c3csc(C(N)=O)c3)cc2)CCO1
InChIInChI=1S/C18H21N3O3S/c19-6-5-15-10-21(7-8-24-15)18(23)13-3-1-12(2-4-13)14-9-16(17(20)22)25-11-14/h1-4,9,11,15H,5-8,10,19H2,(H2,20,22)
InChIKeyFPOFIMRIZFEWET-UHFFFAOYSA-N
XLogP1.70
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide
CID 126432738
[2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride
CID 154907559
[2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride
CID 154904026
2-[(2S)-4-[4-(3,4,5-trifluorophenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702697
[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42252437
[2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride
CID 154899649
(2S)-2-(2-aminoethyl)-N-[4-(3-chlorophenyl)phenyl]morpholine-4-carboxamide
CID 125164851
(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
CID 26407031
[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
CID 81211077
[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 42252495
[(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone
CID 126426185
[(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone
CID 126434480

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide (CID 122565784) is 4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide is NCCC1CN(C(=O)c2ccc(-c3csc(C(N)=O)c3)cc2)CCO1.
What is the InChIKey of 4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide?
The InChIKey is FPOFIMRIZFEWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c19-6-5-15-10-21(7-8-24-15)18(23)13-3-1-12(2-4-13)14-9-16(17(20)22)25-11-14/h1-4,9,11,15H,5-8,10,19H2,(H2,20,22).
What are the key properties of 4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide?
4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 122565784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).