(5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium

C15H17BrN3O2S+ — CID 8971597

IUPAC(5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
SMILESC[NH+](Cc1ccc(Br)s1)[C@@H](C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C15H16BrN3O2S/c1-19(9-11-7-8-12(16)22-11)13(14(20)18-15(17)21)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H3,17,18,20,21)/p+1/t13-/m1/s1
InChIKeyRYJSZZGRVNDIIK-CYBMUJFWSA-O
MW383.29 g/mol
LogP1.46
Rot. Bonds5

About (5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium

(5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium (PubChem CID 8971597) has the molecular formula C15H17BrN3O2S+ and a molecular weight of 383.29 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
PubChem CID8971597
Molecular FormulaC15H17BrN3O2S+
Molecular Weight383.29 g/mol
Exact Mass382.02
IUPAC Name(5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
SMILESC[NH+](Cc1ccc(Br)s1)[C@@H](C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C15H16BrN3O2S/c1-19(9-11-7-8-12(16)22-11)13(14(20)18-15(17)21)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H3,17,18,20,21)/p+1/t13-/m1/s1
InChIKeyRYJSZZGRVNDIIK-CYBMUJFWSA-O
XLogP1.46
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium with MolForge

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Related Compounds

[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium
CID 8787108
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8516766
[2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8767934
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium
CID 9208318
N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide
CID 17415290
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135659961
(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide
CID 93434478
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium
CID 8551653
N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide
CID 54900213
N-[(5-bromothiophen-2-yl)methyl]-3-(carbamoylamino)-N-ethyl-3-phenylpropanamide
CID 42938478
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide
CID 60937692
(4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8540301

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
The IUPAC name of (5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium (CID 8971597) is (5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium.
What is the SMILES notation for (5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
The canonical SMILES for (5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium is C[NH+](Cc1ccc(Br)s1)[C@@H](C(=O)NC(N)=O)c1ccccc1.
What is the InChIKey of (5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
The InChIKey is RYJSZZGRVNDIIK-CYBMUJFWSA-O. The full InChI is InChI=1S/C15H16BrN3O2S/c1-19(9-11-7-8-12(16)22-11)13(14(20)18-15(17)21)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H3,17,18,20,21)/p+1/t13-/m1/s1.
What are the key properties of (5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
(5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium has a molecular weight of 383.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium is sourced from PubChem (CID 8971597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).