N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide

C21H28N4O3S — CID 56536390

IUPACN-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)N(CCCN1CCOCC1)Cc1ccncc1)C(=O)c1cccs1
InChIInChI=1S/C21H28N4O3S/c1-23(21(27)19-4-2-15-29-19)17-20(26)25(16-18-5-7-22-8-6-18)10-3-9-24-11-13-28-14-12-24/h2,4-8,15H,3,9-14,16-17H2,1H3
InChIKeyNBPKKJYLQJNPSE-UHFFFAOYSA-N
MW416.55 g/mol
LogP1.97
Rot. Bonds9

About N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide

N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 56536390) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID56536390
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC NameN-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)N(CCCN1CCOCC1)Cc1ccncc1)C(=O)c1cccs1
InChIInChI=1S/C21H28N4O3S/c1-23(21(27)19-4-2-15-29-19)17-20(26)25(16-18-5-7-22-8-6-18)10-3-9-24-11-13-28-14-12-24/h2,4-8,15H,3,9-14,16-17H2,1H3
InChIKeyNBPKKJYLQJNPSE-UHFFFAOYSA-N
XLogP1.97
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 42701086
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 3401925
5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 56536352
2-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56536378
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 56564212
N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564590
3-methoxy-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 42701708
3-(2,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 56536360
2-(4-tert-butylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564277
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56564217
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 55436392
3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 56536604

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 56536390) is N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is CN(CC(=O)N(CCCN1CCOCC1)Cc1ccncc1)C(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is NBPKKJYLQJNPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-23(21(27)19-4-2-15-29-19)17-20(26)25(16-18-5-7-22-8-6-18)10-3-9-24-11-13-28-14-12-24/h2,4-8,15H,3,9-14,16-17H2,1H3.
What are the key properties of N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 1.97, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 56536390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).