N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide

C19H23N3O3S — CID 47091649

IUPACN-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESCC1CN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC(C)O1
InChIInChI=1S/C19H23N3O3S/c1-13-10-22(11-14(2)25-13)12-18(23)20-15-5-7-16(8-6-15)21-19(24)17-4-3-9-26-17/h3-9,13-14H,10-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyANTXCHOLPZIUNP-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.05
Rot. Bonds5

About N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide

N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 47091649) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID47091649
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESCC1CN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC(C)O1
InChIInChI=1S/C19H23N3O3S/c1-13-10-22(11-14(2)25-13)12-18(23)20-15-5-7-16(8-6-15)21-19(24)17-4-3-9-26-17/h3-9,13-14H,10-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyANTXCHOLPZIUNP-UHFFFAOYSA-N
XLogP3.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778
N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 47091651
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-ethylphenyl)acetamide
CID 8899824
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 2378377
4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 51170483
2-(2,6-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 6465799
4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8900210
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxyphenyl]thiophene-2-carboxamide
CID 51708860
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2653101
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125723
N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899342
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9248959

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide (CID 47091649) is N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide is CC1CN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC(C)O1.
What is the InChIKey of N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is ANTXCHOLPZIUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-10-22(11-14(2)25-13)12-18(23)20-15-5-7-16(8-6-15)21-19(24)17-4-3-9-26-17/h3-9,13-14H,10-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 47091649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).