4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide

C20H22N2O4S — CID 35328091

IUPAC4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2C(=O)N2CCOCC2)s1
InChIInChI=1S/C20H22N2O4S/c1-14-6-8-18(27-14)17(23)7-9-19(24)21-16-5-3-2-4-15(16)20(25)22-10-12-26-13-11-22/h2-6,8H,7,9-13H2,1H3,(H,21,24)
InChIKeyKHCHVZLBQMZDSM-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.13
Rot. Bonds6

About 4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide

4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide (PubChem CID 35328091) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide
PubChem CID35328091
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2C(=O)N2CCOCC2)s1
InChIInChI=1S/C20H22N2O4S/c1-14-6-8-18(27-14)17(23)7-9-19(24)21-16-5-3-2-4-15(16)20(25)22-10-12-26-13-11-22/h2-6,8H,7,9-13H2,1H3,(H,21,24)
InChIKeyKHCHVZLBQMZDSM-UHFFFAOYSA-N
XLogP3.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide
CID 39759961
N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 39754436
7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide
CID 119703947
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 35328696
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide
CID 55795204
3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 6461370
3-(furan-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 35329167
N-[2-(morpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 2988771
3-(2-aminophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 120608564
N-[2-(morpholine-4-carbonyl)phenyl]-3-naphthalen-1-ylpropanamide
CID 53278693

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide (CID 35328091) is 4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2ccccc2C(=O)N2CCOCC2)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide?
The InChIKey is KHCHVZLBQMZDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-14-6-8-18(27-14)17(23)7-9-19(24)21-16-5-3-2-4-15(16)20(25)22-10-12-26-13-11-22/h2-6,8H,7,9-13H2,1H3,(H,21,24).
What are the key properties of 4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide?
4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide has a molecular weight of 386.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 35328091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).