3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide

C15H23N3O3S — CID 126839117

IUPAC3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide
SMILESCCNC(=O)c1cc(NC(=O)N2CCOCC2CC)c(C)s1
InChIInChI=1S/C15H23N3O3S/c1-4-11-9-21-7-6-18(11)15(20)17-12-8-13(22-10(12)3)14(19)16-5-2/h8,11H,4-7,9H2,1-3H3,(H,16,19)(H,17,20)
InChIKeySPLKWWFIBHQPID-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.45
Rot. Bonds4

About 3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide

3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide (PubChem CID 126839117) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide
PubChem CID126839117
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide
SMILESCCNC(=O)c1cc(NC(=O)N2CCOCC2CC)c(C)s1
InChIInChI=1S/C15H23N3O3S/c1-4-11-9-21-7-6-18(11)15(20)17-12-8-13(22-10(12)3)14(19)16-5-2/h8,11H,4-7,9H2,1-3H3,(H,16,19)(H,17,20)
InChIKeySPLKWWFIBHQPID-UHFFFAOYSA-N
XLogP2.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 166252290
N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-3-(trifluoromethyl)azetidine-1-carboxamide
CID 166252300
2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid
CID 61201654
N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide
CID 75374576
3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743315
5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid
CID 61202010
(3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
CID 95968907
(3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide
CID 96518024
N-(2-aminoethyl)-3-ethyl-N-methylmorpholine-4-carboxamide
CID 82509083
(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 55083039
(3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide
CID 125169396
3-ethylmorpholine-4-carbonyl chloride
CID 79887430

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide?
The IUPAC name of 3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide (CID 126839117) is 3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide is CCNC(=O)c1cc(NC(=O)N2CCOCC2CC)c(C)s1.
What is the InChIKey of 3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide?
The InChIKey is SPLKWWFIBHQPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-4-11-9-21-7-6-18(11)15(20)17-12-8-13(22-10(12)3)14(19)16-5-2/h8,11H,4-7,9H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of 3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide?
3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 126839117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).