N-[2-methyl-1-[2-(4-methylmorpholin-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C16H25N3O3S — CID 56719603

IUPACN-[2-methyl-1-[2-(4-methylmorpholin-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCN1CCOC(CCNC(=O)C(C)(C)NC(=O)c2cccs2)C1
InChIInChI=1S/C16H25N3O3S/c1-16(2,18-14(20)13-5-4-10-23-13)15(21)17-7-6-12-11-19(3)8-9-22-12/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyKUCKXRGMJKBLLW-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.09
Rot. Bonds6

About N-[2-methyl-1-[2-(4-methylmorpholin-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[2-methyl-1-[2-(4-methylmorpholin-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 56719603) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-methyl-1-[2-(4-methylmorpholin-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-[2-(4-methylmorpholin-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID56719603
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[2-methyl-1-[2-(4-methylmorpholin-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCN1CCOC(CCNC(=O)C(C)(C)NC(=O)c2cccs2)C1
InChIInChI=1S/C16H25N3O3S/c1-16(2,18-14(20)13-5-4-10-23-13)15(21)17-7-6-12-11-19(3)8-9-22-12/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyKUCKXRGMJKBLLW-UHFFFAOYSA-N
XLogP1.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide
CID 103993193
1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea
CID 110747007
N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110741493
3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709908
N-[2-(4-methylmorpholin-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 110709882
2,2-dimethyl-N-[2-(4-phenylmorpholin-2-yl)ethyl]propanamide
CID 110709813
N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110710235
3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709915
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine
CID 95303552
N-[2-methyl-1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 135096627
N-[2-(4-methylmorpholin-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56701471
N-[2-methyl-1-oxo-1-[3-(2H-tetrazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide
CID 50969036

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[2-(4-methylmorpholin-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-methyl-1-[2-(4-methylmorpholin-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 56719603) is N-[2-methyl-1-[2-(4-methylmorpholin-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-1-[2-(4-methylmorpholin-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-methyl-1-[2-(4-methylmorpholin-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CN1CCOC(CCNC(=O)C(C)(C)NC(=O)c2cccs2)C1.
What is the InChIKey of N-[2-methyl-1-[2-(4-methylmorpholin-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is KUCKXRGMJKBLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-16(2,18-14(20)13-5-4-10-23-13)15(21)17-7-6-12-11-19(3)8-9-22-12/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of N-[2-methyl-1-[2-(4-methylmorpholin-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[2-methyl-1-[2-(4-methylmorpholin-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[2-(4-methylmorpholin-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 56719603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).