N-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide

C21H33N3O3S — CID 46817755

IUPACN-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C21H33N3O3S/c1-16(2)18(23-19(25)17-7-6-14-28-17)20(26)22-15-21(8-4-3-5-9-21)24-10-12-27-13-11-24/h6-7,14,16,18H,3-5,8-13,15H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyZSEHXJCHWBMBQI-UHFFFAOYSA-N
MW407.58 g/mol
LogP2.65
Rot. Bonds7

About N-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 46817755) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is N-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID46817755
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC NameN-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C21H33N3O3S/c1-16(2)18(23-19(25)17-7-6-14-28-17)20(26)22-15-21(8-4-3-5-9-21)24-10-12-27-13-11-24/h6-7,14,16,18H,3-5,8-13,15H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyZSEHXJCHWBMBQI-UHFFFAOYSA-N
XLogP2.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

(2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide
CID 37259849
N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide
CID 35672039
1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056877
N-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 31328196
N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42932311
N-[1-(2-aminoethylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119384385
(2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
CID 95619748
N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120888910
(2R)-2-amino-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 56875780
N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119432694
(2R)-2-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 51715596
5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide
CID 30255015

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 46817755) is N-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(C)C(NC(=O)c1cccs1)C(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of N-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is ZSEHXJCHWBMBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-16(2)18(23-19(25)17-7-6-14-28-17)20(26)22-15-21(8-4-3-5-9-21)24-10-12-27-13-11-24/h6-7,14,16,18H,3-5,8-13,15H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
N-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 407.58 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46817755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).