(2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide

C15H20N2O4S — CID 94371507

IUPAC(2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide
SMILESCc1cc(C(=O)CCC(=O)N2CCO[C@H](C(N)=O)C2)c(C)s1
InChIInChI=1S/C15H20N2O4S/c1-9-7-11(10(2)22-9)12(18)3-4-14(19)17-5-6-21-13(8-17)15(16)20/h7,13H,3-6,8H2,1-2H3,(H2,16,20)/t13-/m0/s1
InChIKeyGRLHUWQKVXDBSX-ZDUSSCGKSA-N
MW324.40 g/mol
LogP1.04
Rot. Bonds5

About (2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide

(2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide (PubChem CID 94371507) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is (2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide
PubChem CID94371507
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name(2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide
SMILESCc1cc(C(=O)CCC(=O)N2CCO[C@H](C(N)=O)C2)c(C)s1
InChIInChI=1S/C15H20N2O4S/c1-9-7-11(10(2)22-9)12(18)3-4-14(19)17-5-6-21-13(8-17)15(16)20/h7,13H,3-6,8H2,1-2H3,(H2,16,20)/t13-/m0/s1
InChIKeyGRLHUWQKVXDBSX-ZDUSSCGKSA-N
XLogP1.04
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide
CID 94371508
1-(azepan-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione
CID 78782624
1-(2,5-dimethylthiophen-3-yl)-4-(4-hydroxypiperidin-1-yl)butane-1,4-dione
CID 60590572
1-(2,5-dimethylthiophen-3-yl)-4-[3-(oxolan-3-ylamino)azetidin-1-yl]butane-1,4-dione
CID 136562450
3-[1-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]piperidin-3-yl]propanoic acid
CID 120689666
2-[1-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]piperidin-4-yl]acetic acid
CID 120684696
1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione
CID 134020740
4-(2-aminoacetyl)morpholine-2-carboxamide;hydrochloride
CID 130609413
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione;hydrochloride
CID 120805038
1-(2,5-dimethylthiophen-3-yl)-4-[4-(ethylaminomethyl)piperidin-1-yl]butane-1,4-dione;hydrochloride
CID 119645963
4-(1-butanoylpiperidine-3-carbonyl)morpholine-2-carboxamide
CID 49416925
4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119239623

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide (CID 94371507) is (2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide is Cc1cc(C(=O)CCC(=O)N2CCO[C@H](C(N)=O)C2)c(C)s1.
What is the InChIKey of (2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide?
The InChIKey is GRLHUWQKVXDBSX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-9-7-11(10(2)22-9)12(18)3-4-14(19)17-5-6-21-13(8-17)15(16)20/h7,13H,3-6,8H2,1-2H3,(H2,16,20)/t13-/m0/s1.
What are the key properties of (2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide?
(2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide is sourced from PubChem (CID 94371507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).