5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C18H28BrN3O2S — CID 51963936

IUPAC5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCC1(N(C)C)CCCCCC1
InChIInChI=1S/C18H28BrN3O2S/c1-13(21-17(24)14-8-9-15(19)25-14)16(23)20-12-18(22(2)3)10-6-4-5-7-11-18/h8-9,13H,4-7,10-12H2,1-3H3,(H,20,23)(H,21,24)/t13-/m1/s1
InChIKeyLGADZMFQYKBDMT-CYBMUJFWSA-N
MW430.41 g/mol
LogP3.40
Rot. Bonds6

About 5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 51963936) has the molecular formula C18H28BrN3O2S and a molecular weight of 430.41 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID51963936
Molecular FormulaC18H28BrN3O2S
Molecular Weight430.41 g/mol
Exact Mass429.11
IUPAC Name5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCC1(N(C)C)CCCCCC1
InChIInChI=1S/C18H28BrN3O2S/c1-13(21-17(24)14-8-9-15(19)25-14)16(23)20-12-18(22(2)3)10-6-4-5-7-11-18/h8-9,13H,4-7,10-12H2,1-3H3,(H,20,23)(H,21,24)/t13-/m1/s1
InChIKeyLGADZMFQYKBDMT-CYBMUJFWSA-N
XLogP3.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119384927
methyl 4-[[2-[(5-bromothiophene-2-carbonyl)amino]propanoylamino]methyl]oxane-4-carboxylate
CID 75452993
methyl 4-[[[(2S)-2-[(5-bromothiophene-2-carbonyl)amino]propanoyl]amino]methyl]oxane-4-carboxylate
CID 97349120
2,3-dichloro-N-[(2S)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 51953244
5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide
CID 18165170
5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120827801
5-bromo-N-[(2S)-1-oxo-1-[[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]amino]propan-2-yl]thiophene-2-carboxamide
CID 95778028
1-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 54898113
5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119463754
(2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide
CID 104897629
5-bromo-N-[1-[[2-(4-bromophenyl)-2-methylpropyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55848136

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 51963936) is 5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCC1(N(C)C)CCCCCC1.
What is the InChIKey of 5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is LGADZMFQYKBDMT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H28BrN3O2S/c1-13(21-17(24)14-8-9-15(19)25-14)16(23)20-12-18(22(2)3)10-6-4-5-7-11-18/h8-9,13H,4-7,10-12H2,1-3H3,(H,20,23)(H,21,24)/t13-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 430.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51963936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).