(5-bromothiophen-2-yl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium

C15H17BrN3O2S+ — CID 9299369

IUPAC(5-bromothiophen-2-yl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(Br)s1
InChIInChI=1S/C15H16BrN3O2S/c1-19(8-12-6-7-13(16)22-12)9-14(20)18-11-4-2-10(3-5-11)15(17)21/h2-7H,8-9H2,1H3,(H2,17,21)(H,18,20)/p+1
InChIKeyLJVIEHXARFDBGR-UHFFFAOYSA-O
MW383.29 g/mol
LogP1.26
Rot. Bonds6

About (5-bromothiophen-2-yl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium

(5-bromothiophen-2-yl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9299369) has the molecular formula C15H17BrN3O2S+ and a molecular weight of 383.29 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium
PubChem CID9299369
Molecular FormulaC15H17BrN3O2S+
Molecular Weight383.29 g/mol
Exact Mass382.02
IUPAC Name(5-bromothiophen-2-yl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(Br)s1
InChIInChI=1S/C15H16BrN3O2S/c1-19(8-12-6-7-13(16)22-12)9-14(20)18-11-4-2-10(3-5-11)15(17)21/h2-7H,8-9H2,1H3,(H2,17,21)(H,18,20)/p+1
InChIKeyLJVIEHXARFDBGR-UHFFFAOYSA-O
XLogP1.26
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-2-yl)methyl-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8971807
(5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium
CID 2657721
(5-bromothiophen-2-yl)methyl-[2-(2-cyanoanilino)-2-oxoethyl]-methylazanium
CID 9299186
(4-tert-butylphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium
CID 8018592
[2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023992
[2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-prop-2-enylazanium
CID 9298328
[2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium
CID 9136506
(5-bromothiophen-2-yl)methyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9299518
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718114
[2-(4-carbamoylanilino)-2-oxoethyl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium
CID 9436761
(4-bromophenyl)methyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9039953
(2-anilino-2-oxoethyl)-benzyl-methylazanium
CID 8901163

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (5-bromothiophen-2-yl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium (CID 9299369) is (5-bromothiophen-2-yl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (5-bromothiophen-2-yl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (5-bromothiophen-2-yl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium is C[NH+](CC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is LJVIEHXARFDBGR-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16BrN3O2S/c1-19(8-12-6-7-13(16)22-12)9-14(20)18-11-4-2-10(3-5-11)15(17)21/h2-7H,8-9H2,1H3,(H2,17,21)(H,18,20)/p+1.
What are the key properties of (5-bromothiophen-2-yl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium?
(5-bromothiophen-2-yl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 383.29 g/mol, XLogP of 1.26, 6 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-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9299369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).