N-[[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]methyl]thiophene-2-carboxamide

C19H22N2O3S — CID 86998391

IUPACN-[[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCC1(C)CN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)CCO1
InChIInChI=1S/C19H22N2O3S/c1-19(2)13-21(9-10-24-19)18(23)15-7-5-14(6-8-15)12-20-17(22)16-4-3-11-25-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyCZORTRGOMAJNMY-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.93
Rot. Bonds4

About N-[[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]methyl]thiophene-2-carboxamide

N-[[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 86998391) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID86998391
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCC1(C)CN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)CCO1
InChIInChI=1S/C19H22N2O3S/c1-19(2)13-21(9-10-24-19)18(23)15-7-5-14(6-8-15)12-20-17(22)16-4-3-11-25-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyCZORTRGOMAJNMY-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]methyl]thiophene-2-carboxamide 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

tert-butyl 4-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperazine-1-carboxylate
CID 46492559
4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
CID 61202032
N-[[4-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 136529433
5-methyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxylic acid
CID 122118715
N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride
CID 119397160
(2R,3R)-2-methyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxylic acid
CID 122115454
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 18117454
N-[[4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide
CID 46492606
N-[[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide
CID 119468196
N-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide
CID 49401377
(3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95087584

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]methyl]thiophene-2-carboxamide (CID 86998391) is N-[[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]methyl]thiophene-2-carboxamide is CC1(C)CN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)CCO1.
What is the InChIKey of N-[[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is CZORTRGOMAJNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-19(2)13-21(9-10-24-19)18(23)15-7-5-14(6-8-15)12-20-17(22)16-4-3-11-25-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]methyl]thiophene-2-carboxamide?
N-[[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2-dimethylmorpholine-4-carbonyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 86998391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).